4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile

C12H12F2N2 — CID 107933424

IUPAC4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile
SMILESCN(CC1CC1)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C12H12F2N2/c1-16(7-8-2-3-8)10-5-4-9(6-15)11(13)12(10)14/h4-5,8H,2-3,7H2,1H3
InChIKeyMMOINRJVRCTNDD-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.68
Rot. Bonds3

About 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile

4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile (PubChem CID 107933424) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile
PubChem CID107933424
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile
SMILESCN(CC1CC1)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C12H12F2N2/c1-16(7-8-2-3-8)10-5-4-9(6-15)11(13)12(10)14/h4-5,8H,2-3,7H2,1H3
InChIKeyMMOINRJVRCTNDD-UHFFFAOYSA-N
XLogP2.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile 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

4-[cyclobutylmethyl(ethyl)amino]-2,3-difluorobenzonitrile
CID 107934283
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,3-difluorobenzonitrile
CID 107933828
4-[(4-bromophenyl)methyl-methylamino]-2,3-difluorobenzonitrile
CID 107933447
5-amino-2-[cyclobutylmethyl(methyl)amino]benzonitrile
CID 62862519
5-fluoro-2-[methyl(oxan-4-ylmethyl)amino]benzonitrile
CID 63707524
4-[cyclopropyl(2-methylpropyl)amino]-2,3-difluorobenzonitrile
CID 107933598
2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 107933368
4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
CID 107932908
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzonitrile
CID 107933624
2-[cyclohexylmethyl(methyl)amino]-4-methylbenzonitrile
CID 63512288
2-bromo-3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 107533332
methyl 3-(4-cyano-2,3-difluoro-N-methylanilino)-2-methylpropanoate
CID 107933615

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile?
The IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile (CID 107933424) is 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile is CN(CC1CC1)c1ccc(C#N)c(F)c1F.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile?
The InChIKey is MMOINRJVRCTNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-16(7-8-2-3-8)10-5-4-9(6-15)11(13)12(10)14/h4-5,8H,2-3,7H2,1H3.
What are the key properties of 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile?
4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile has a molecular weight of 222.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile is sourced from PubChem (CID 107933424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).