Home Other Building Blocks 3,3,4,4,4-PENTAFLUOROBUTAN-1-OL

3,3,4,4,4-PENTAFLUOROBUTAN-1-OL

CAS No.:
54949-74-5
Catalog Number:
AG00DAHC
Molecular Formula:
C4H5F5O
Molecular Weight:
164.0739
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Product Description
Catalog Number:
AG00DAHC
Chemical Name:
3,3,4,4,4-PENTAFLUOROBUTAN-1-OL
CAS Number:
54949-74-5
Molecular Formula:
C4H5F5O
Molecular Weight:
164.0739
MDL Number:
MFCD03424479
IUPAC Name:
3,3,4,4,4-pentafluorobutan-1-ol
InChI:
InChI=1S/C4H5F5O/c5-3(6,1-2-10)4(7,8)9/h10H,1-2H2
InChI Key:
JPMHUDBOKDBBLG-UHFFFAOYSA-N
SMILES:
OCCC(C(F)(F)F)(F)F
EC Number:
259-405-8
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.026g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.075g/mol
Monoisotopic Mass:
164.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties