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

C15H16F2N2 — CID 55231380

IUPAC2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(N)cc2C(F)F)c(C)c1
InChIInChI=1S/C15H16F2N2/c1-9-3-5-13(10(2)7-9)19-14-6-4-11(18)8-12(14)15(16)17/h3-8,15,19H,18H2,1-2H3
InChIKeyQOJVPVAOVDZJRF-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.57
Rot. Bonds3

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

2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine (PubChem CID 55231380) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine
PubChem CID55231380
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(N)cc2C(F)F)c(C)c1
InChIInChI=1S/C15H16F2N2/c1-9-3-5-13(10(2)7-9)19-14-6-4-11(18)8-12(14)15(16)17/h3-8,15,19H,18H2,1-2H3
InChIKeyQOJVPVAOVDZJRF-UHFFFAOYSA-N
XLogP4.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.57
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-(2,4-dimethylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine (CID 55231380) is 2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine is Cc1ccc(Nc2ccc(N)cc2C(F)F)c(C)c1.
What is the InChIKey of 2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine?
The InChIKey is QOJVPVAOVDZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-9-3-5-13(10(2)7-9)19-14-6-4-11(18)8-12(14)15(16)17/h3-8,15,19H,18H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine has a molecular weight of 262.30 g/mol, XLogP of 4.57, 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-(2,4-dimethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 55231380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).