2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile

C14H16F2N2 — CID 103585556

IUPAC2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile
SMILESCc1cc(F)c(NC2CCCCC2C#N)cc1F
InChIInChI=1S/C14H16F2N2/c1-9-6-12(16)14(7-11(9)15)18-13-5-3-2-4-10(13)8-17/h6-7,10,13,18H,2-5H2,1H3
InChIKeyYLSKKWCLSRWQIY-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.77
Rot. Bonds2

About 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile

2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile (PubChem CID 103585556) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile
PubChem CID103585556
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile
SMILESCc1cc(F)c(NC2CCCCC2C#N)cc1F
InChIInChI=1S/C14H16F2N2/c1-9-6-12(16)14(7-11(9)15)18-13-5-3-2-4-10(13)8-17/h6-7,10,13,18H,2-5H2,1H3
InChIKeyYLSKKWCLSRWQIY-UHFFFAOYSA-N
XLogP3.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile 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

2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile
CID 103585701
2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 62743322
2-(4-chloro-2-methylanilino)cycloheptane-1-carbonitrile
CID 114255856
2-(2-methylanilino)cycloheptane-1-carbonitrile
CID 62743701
2-(2,3,5,6-tetrafluoroanilino)cycloheptane-1-carbonitrile
CID 107644498
2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
CID 62742205
2-(3,4,5-trifluoroanilino)cyclopentane-1-carbonitrile
CID 62810465
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile
CID 65467072
2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 79769592
2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
CID 107606392
2-(3-bromo-4-fluoroanilino)cycloheptane-1-carbonitrile
CID 104777727

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile (CID 103585556) is 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile is Cc1cc(F)c(NC2CCCCC2C#N)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile?
The InChIKey is YLSKKWCLSRWQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-9-6-12(16)14(7-11(9)15)18-13-5-3-2-4-10(13)8-17/h6-7,10,13,18H,2-5H2,1H3.
What are the key properties of 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile?
2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile has a molecular weight of 250.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 103585556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).