3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine

C12H16F2N2 — CID 115506691

IUPAC3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
SMILESCC1(Nc2cc(F)cc(F)c2N)CCCC1
InChIInChI=1S/C12H16F2N2/c1-12(4-2-3-5-12)16-10-7-8(13)6-9(14)11(10)15/h6-7,16H,2-5,15H2,1H3
InChIKeyQAOUUMHWAQPTFF-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.29
Rot. Bonds2

About 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine

3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine (PubChem CID 115506691) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
PubChem CID115506691
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
SMILESCC1(Nc2cc(F)cc(F)c2N)CCCC1
InChIInChI=1S/C12H16F2N2/c1-12(4-2-3-5-12)16-10-7-8(13)6-9(14)11(10)15/h6-7,16H,2-5,15H2,1H3
InChIKeyQAOUUMHWAQPTFF-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
CID 66109733
4-bromo-5-fluoro-1-N-(1-methylcyclohexyl)benzene-1,2-diamine
CID 66110738
1-N-(4,4-dimethylcyclohexyl)-3,5-difluorobenzene-1,2-diamine
CID 115507045
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine
CID 83116976
1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 107163064
1-N-tert-butyl-3,5-difluorobenzene-1,2-diamine
CID 115506498
4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine
CID 62589807
1-N-(3,5-dimethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506548
2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine
CID 63733942
1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine
CID 115506451
3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 113325134
3-(2-amino-3,5-difluoroanilino)piperidin-2-one
CID 113325264

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine (CID 115506691) is 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine is CC1(Nc2cc(F)cc(F)c2N)CCCC1.
What is the InChIKey of 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine?
The InChIKey is QAOUUMHWAQPTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-12(4-2-3-5-12)16-10-7-8(13)6-9(14)11(10)15/h6-7,16H,2-5,15H2,1H3.
What are the key properties of 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine?
3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine has a molecular weight of 226.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine is sourced from PubChem (CID 115506691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).