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

C13H14F2N2 — CID 103585701

IUPAC2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile
SMILESCc1cc(F)c(NC2CCCC2C#N)cc1F
InChIInChI=1S/C13H14F2N2/c1-8-5-11(15)13(6-10(8)14)17-12-4-2-3-9(12)7-16/h5-6,9,12,17H,2-4H2,1H3
InChIKeyVUIPPSRVDQMURY-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.38
Rot. Bonds2

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

2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile (PubChem CID 103585701) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile
PubChem CID103585701
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile
SMILESCc1cc(F)c(NC2CCCC2C#N)cc1F
InChIInChI=1S/C13H14F2N2/c1-8-5-11(15)13(6-10(8)14)17-12-4-2-3-9(12)7-16/h5-6,9,12,17H,2-4H2,1H3
InChIKeyVUIPPSRVDQMURY-UHFFFAOYSA-N
XLogP3.38
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 103585556
2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 62743322
2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
CID 62742205
2-(3,4,5-trifluoroanilino)cyclopentane-1-carbonitrile
CID 62810465
2-(4-chloro-2-methylanilino)cycloheptane-1-carbonitrile
CID 114255856
2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile
CID 65467072
2-(2-methylanilino)cycloheptane-1-carbonitrile
CID 62743701
2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 79769592
2-(2,3,5,6-tetrafluoroanilino)cycloheptane-1-carbonitrile
CID 107644498
2-(3-chloro-4-fluoroanilino)cyclopentane-1-carbonitrile
CID 83107962
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993
2-(5-chloro-2,4-dimethoxyanilino)cyclopentane-1-carbonitrile
CID 62741106

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile (CID 103585701) is 2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile is Cc1cc(F)c(NC2CCCC2C#N)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile?
The InChIKey is VUIPPSRVDQMURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-8-5-11(15)13(6-10(8)14)17-12-4-2-3-9(12)7-16/h5-6,9,12,17H,2-4H2,1H3.
What are the key properties of 2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile?
2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile has a molecular weight of 236.26 g/mol, XLogP of 3.38, 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)cyclopentane-1-carbonitrile is sourced from PubChem (CID 103585701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).