[2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide

C10H4F3N2- — CID 139243045

IUPAC[2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide
SMILESN#Cc1cccc(C(=C=[N-])C(F)(F)F)c1
InChIInChI=1S/C10H4F3N2/c11-10(12,13)9(6-15)8-3-1-2-7(4-8)5-14/h1-4H/q-1
InChIKeyPAFPJNMSUDTYCT-UHFFFAOYSA-N
MW209.15 g/mol
LogP2.74
Rot. Bonds1

About [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide

[2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide (PubChem CID 139243045) has the molecular formula C10H4F3N2- and a molecular weight of 209.15 g/mol. Its IUPAC name is [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide.

Molecular Properties

Compound Name[2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide
PubChem CID139243045
Molecular FormulaC10H4F3N2-
Molecular Weight209.15 g/mol
Exact Mass209.03
IUPAC Name[2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide
SMILESN#Cc1cccc(C(=C=[N-])C(F)(F)F)c1
InChIInChI=1S/C10H4F3N2/c11-10(12,13)9(6-15)8-3-1-2-7(4-8)5-14/h1-4H/q-1
InChIKeyPAFPJNMSUDTYCT-UHFFFAOYSA-N
XLogP2.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-cyano-2-(3-cyanophenyl)ethenylidene]azanide
CID 139242929
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
3-cyanobenzoic acid;silver
CID 88821173
3-cyanobenzenecarbothioamide
CID 23279245
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
3-(3-bromopropanoyl)benzonitrile
CID 91338411
3-(2-cyanoacetyl)benzonitrile
CID 23423882
3-(3-methylbutanoyl)benzonitrile
CID 58853951
N,N-ditert-butyl-3-cyanobenzamide
CID 59614204
3-cyano-N,N-dimethylbenzenecarbothioamide
CID 156695114
3-[(Z)-1-amino-2-cyanoethenyl]benzonitrile
CID 12540170
3-(4,4,4-trifluoro-1-oxo-1-phenylbutan-2-yl)benzonitrile
CID 102107128

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide?
The IUPAC name of [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide (CID 139243045) is [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide.
What is the SMILES notation for [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide?
The canonical SMILES for [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide is N#Cc1cccc(C(=C=[N-])C(F)(F)F)c1.
What is the InChIKey of [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide?
The InChIKey is PAFPJNMSUDTYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3N2/c11-10(12,13)9(6-15)8-3-1-2-7(4-8)5-14/h1-4H/q-1.
What are the key properties of [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide?
[2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide has a molecular weight of 209.15 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide is sourced from PubChem (CID 139243045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).