3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline

C12H15F2N — CID 96923141

IUPAC3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
SMILESC[C@H]1CCC[C@H]1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-8-3-2-4-12(8)15-11-6-9(13)5-10(14)7-11/h5-8,12,15H,2-4H2,1H3/t8-,12+/m0/s1
InChIKeyFNLFLPWYQZHGCT-QPUJVOFHSA-N
MW211.25 g/mol
LogP3.57
Rot. Bonds2

About 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline

3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline (PubChem CID 96923141) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
PubChem CID96923141
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
SMILESC[C@H]1CCC[C@H]1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-8-3-2-4-12(8)15-11-6-9(13)5-10(14)7-11/h5-8,12,15H,2-4H2,1H3/t8-,12+/m0/s1
InChIKeyFNLFLPWYQZHGCT-QPUJVOFHSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 130171740
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
CID 93345900
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclohexan-1-ol
CID 102730953
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
5-fluoro-N-(2-methylcyclobutyl)pyridin-3-amine
CID 130554519
4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
CID 107571840
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
N-(2-methylcyclopentyl)pyrimidin-5-amine
CID 107587748
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 80735658
2-bromo-4-fluoro-N-(2-methylcyclopentyl)aniline
CID 65046775

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline?
The IUPAC name of 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline (CID 96923141) is 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline is C[C@H]1CCC[C@H]1Nc1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline?
The InChIKey is FNLFLPWYQZHGCT-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8-3-2-4-12(8)15-11-6-9(13)5-10(14)7-11/h5-8,12,15H,2-4H2,1H3/t8-,12+/m0/s1.
What are the key properties of 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline?
3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline has a molecular weight of 211.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline is sourced from PubChem (CID 96923141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).