2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile

C11H9F3N2 — CID 169464354

IUPAC2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(C(F)(F)F)cc1C=CCN
InChIInChI=1S/C11H9F3N2/c12-11(13,14)10-4-3-9(7-16)8(6-10)2-1-5-15/h1-4,6H,5,15H2
InChIKeyIWYURDXFCXODPJ-UHFFFAOYSA-N
MW226.20 g/mol
LogP2.55
Rot. Bonds2

About 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile

2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile (PubChem CID 169464354) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile
PubChem CID169464354
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(C(F)(F)F)cc1C=CCN
InChIInChI=1S/C11H9F3N2/c12-11(13,14)10-4-3-9(7-16)8(6-10)2-1-5-15/h1-4,6H,5,15H2
InChIKeyIWYURDXFCXODPJ-UHFFFAOYSA-N
XLogP2.55
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169464113
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463994
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995
3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169464681
(E)-3-[2-cyano-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 171028857
3-[2-cyano-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 169461005
2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115111123
tert-butyl N-[3-[2-cyano-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169468381
tert-butyl N-[4-[2-cyano-5-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170491344
(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333674
3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine
CID 169464082
4-[2-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487409

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile (CID 169464354) is 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile is N#Cc1ccc(C(F)(F)F)cc1C=CCN.
What is the InChIKey of 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile?
The InChIKey is IWYURDXFCXODPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c12-11(13,14)10-4-3-9(7-16)8(6-10)2-1-5-15/h1-4,6H,5,15H2.
What are the key properties of 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile?
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile has a molecular weight of 226.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 169464354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).