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Home Other Building Blocks Benzene, 5-[difluoro[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]methoxy]-1,2,3-trifluoro-

Benzene, 5-[difluoro[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]methoxy]-1,2,3-trifluoro-

CAS No.:
208338-50-5
Catalog Number:
AG002JN0
Molecular Formula:
C22H29F5O
Molecular Weight:
404.4571
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Product Description
Catalog Number:
AG002JN0
Chemical Name:
Benzene, 5-[difluoro[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]methoxy]-1,2,3-trifluoro-
CAS Number:
208338-50-5
Molecular Formula:
C22H29F5O
Molecular Weight:
404.4571
MDL Number:
MFCD25973337
IUPAC Name:
5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene
InChI:
InChI=1S/C22H29F5O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26,27)28-18-12-19(23)21(25)20(24)13-18/h12-17H,2-11H2,1H3
InChI Key:
QCRXXWNFJYKLHB-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C(Oc1cc(F)c(c(c1)F)F)(F)F
EC Number:
606-647-0
Properties
Complexity:
460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.214g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.465g/mol
Monoisotopic Mass:
404.214g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1  
Properties