Home Other Building Blocks 2,2,2-trifluoroethyl N-(5-fluoropyridin-3-yl)carbamate

2,2,2-trifluoroethyl N-(5-fluoropyridin-3-yl)carbamate

CAS No.:
1690543-74-8
Catalog Number:
AG01BTRH
Molecular Formula:
C8H6F4N2O2
Molecular Weight:
238.1391
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Product Description
Catalog Number:
AG01BTRH
Chemical Name:
2,2,2-trifluoroethyl N-(5-fluoropyridin-3-yl)carbamate
CAS Number:
1690543-74-8
Molecular Formula:
C8H6F4N2O2
Molecular Weight:
238.1391
MDL Number:
MFCD30724033
IUPAC Name:
2,2,2-trifluoroethyl N-(5-fluoropyridin-3-yl)carbamate
InChI:
InChI=1S/C8H6F4N2O2/c9-5-1-6(3-13-2-5)14-7(15)16-4-8(10,11)12/h1-3H,4H2,(H,14,15)
InChI Key:
MOHPDVRBRTZJJJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cncc(c1)F)OCC(F)(F)F
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.037g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.142g/mol
Monoisotopic Mass:
238.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties