2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile

C11H10ClFN2 — CID 106437488

IUPAC2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile
SMILESC/C(=C/Cl)CNc1cccc(F)c1C#N
InChIInChI=1S/C11H10ClFN2/c1-8(5-12)7-15-11-4-2-3-10(13)9(11)6-14/h2-5,15H,7H2,1H3/b8-5-
InChIKeyJBXJQYRRUAQFBJ-YVMONPNESA-N
MW224.67 g/mol
LogP3.25
Rot. Bonds3

About 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile

2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile (PubChem CID 106437488) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile
PubChem CID106437488
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile
SMILESC/C(=C/Cl)CNc1cccc(F)c1C#N
InChIInChI=1S/C11H10ClFN2/c1-8(5-12)7-15-11-4-2-3-10(13)9(11)6-14/h2-5,15H,7H2,1H3/b8-5-
InChIKeyJBXJQYRRUAQFBJ-YVMONPNESA-N
XLogP3.25
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437375
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline
CID 106437429
2-[[(E)-3-chloroprop-2-enyl]amino]-6-fluorobenzonitrile
CID 107899698
3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437425
tert-butyl 2-(2-cyano-3-fluoroanilino)acetate
CID 60824669
2-fluoro-6-(2-hydroxybutylamino)benzonitrile
CID 60886657
2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline
CID 106438200
2-fluoro-6-(2-methylsulfanylethylamino)benzonitrile
CID 78911018
5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile
CID 106437691
2-fluoro-6-[(2-methyl-2-methylsulfonylpropyl)amino]benzonitrile
CID 79563190
2-fluoro-6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 43580632
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile (CID 106437488) is 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile is C/C(=C/Cl)CNc1cccc(F)c1C#N.
What is the InChIKey of 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile?
The InChIKey is JBXJQYRRUAQFBJ-YVMONPNESA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-8(5-12)7-15-11-4-2-3-10(13)9(11)6-14/h2-5,15H,7H2,1H3/b8-5-.
What are the key properties of 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile?
2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile has a molecular weight of 224.67 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile is sourced from PubChem (CID 106437488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).