2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine

C14H20F2N2 — CID 63733942

IUPAC2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1(Nc2ccc(N)cc2C(F)F)CCCCC1
InChIInChI=1S/C14H20F2N2/c1-14(7-3-2-4-8-14)18-12-6-5-10(17)9-11(12)13(15)16/h5-6,9,13,18H,2-4,7-8,17H2,1H3
InChIKeyYQOQMKCIHJSVEW-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.34
Rot. Bonds3

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

2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine (PubChem CID 63733942) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine
PubChem CID63733942
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1(Nc2ccc(N)cc2C(F)F)CCCCC1
InChIInChI=1S/C14H20F2N2/c1-14(7-3-2-4-8-14)18-12-6-5-10(17)9-11(12)13(15)16/h5-6,9,13,18H,2-4,7-8,17H2,1H3
InChIKeyYQOQMKCIHJSVEW-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.34
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 2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine (CID 63733942) is 2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine is CC1(Nc2ccc(N)cc2C(F)F)CCCCC1.
What is the InChIKey of 2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine?
The InChIKey is YQOQMKCIHJSVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-14(7-3-2-4-8-14)18-12-6-5-10(17)9-11(12)13(15)16/h5-6,9,13,18H,2-4,7-8,17H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine has a molecular weight of 254.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 63733942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).