3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine

C13H18F2N2 — CID 62533166

IUPAC3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCCC(Nc2c(N)ccc(F)c2F)C1
InChIInChI=1S/C13H18F2N2/c1-8-3-2-4-9(7-8)17-13-11(16)6-5-10(14)12(13)15/h5-6,8-9,17H,2-4,7,16H2,1H3
InChIKeyMUHPXEOFBGJXFM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.54
Rot. Bonds2

About 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine

3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine (PubChem CID 62533166) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
PubChem CID62533166
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCCC(Nc2c(N)ccc(F)c2F)C1
InChIInChI=1S/C13H18F2N2/c1-8-3-2-4-9(7-8)17-13-11(16)6-5-10(14)12(13)15/h5-6,8-9,17H,2-4,7,16H2,1H3
InChIKeyMUHPXEOFBGJXFM-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine (CID 62533166) is 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine is CC1CCCC(Nc2c(N)ccc(F)c2F)C1.
What is the InChIKey of 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The InChIKey is MUHPXEOFBGJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-8-3-2-4-9(7-8)17-13-11(16)6-5-10(14)12(13)15/h5-6,8-9,17H,2-4,7,16H2,1H3.
What are the key properties of 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine?
3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine has a molecular weight of 240.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 62533166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).