Home Other Building Blocks tert-butyl N-(1-cyano-3,3,3-trifluoropropyl)carbamate

tert-butyl N-(1-cyano-3,3,3-trifluoropropyl)carbamate

CAS No.:
1803605-33-5
Catalog Number:
AG01A6EB
Molecular Formula:
C9H13F3N2O2
Molecular Weight:
238.2069
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Product Description
Catalog Number:
AG01A6EB
Chemical Name:
tert-butyl N-(1-cyano-3,3,3-trifluoropropyl)carbamate
CAS Number:
1803605-33-5
Molecular Formula:
C9H13F3N2O2
Molecular Weight:
238.2069
MDL Number:
MFCD27500664
IUPAC Name:
tert-butyl N-(1-cyano-3,3,3-trifluoropropyl)carbamate
InChI:
InChI=1S/C9H13F3N2O2/c1-8(2,3)16-7(15)14-6(5-13)4-9(10,11)12/h6H,4H2,1-3H3,(H,14,15)
InChI Key:
FNADWCYBGBHJDL-UHFFFAOYSA-N
SMILES:
N#CC(CC(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.093g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.21g/mol
Monoisotopic Mass:
238.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties