4-(2,4-difluorophenyl)benzene-1,2-diamine

C12H10F2N2 — CID 172847210

IUPAC4-(2,4-difluorophenyl)benzene-1,2-diamine
SMILESNc1ccc(-c2ccc(F)cc2F)cc1N
InChIInChI=1S/C12H10F2N2/c13-8-2-3-9(10(14)6-8)7-1-4-11(15)12(16)5-7/h1-6H,15-16H2
InChIKeyXOUQOURXYMLESO-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.80
Rot. Bonds1

About 4-(2,4-difluorophenyl)benzene-1,2-diamine

4-(2,4-difluorophenyl)benzene-1,2-diamine (PubChem CID 172847210) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)benzene-1,2-diamine
PubChem CID172847210
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name4-(2,4-difluorophenyl)benzene-1,2-diamine
SMILESNc1ccc(-c2ccc(F)cc2F)cc1N
InChIInChI=1S/C12H10F2N2/c13-8-2-3-9(10(14)6-8)7-1-4-11(15)12(16)5-7/h1-6H,15-16H2
InChIKeyXOUQOURXYMLESO-UHFFFAOYSA-N
XLogP2.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.80
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-(2,4-difluorophenyl)-2-nitroaniline
CID 175739959
4-(2,4-difluorophenyl)-3-fluoroaniline
CID 57415152
4-(2,4-difluorophenyl)benzenethiol
CID 142871981
2,4-difluoroaniline;methane
CID 155026278
2,4-difluoroaniline;hydrofluoride
CID 170944018
2-(2,4-difluorophenyl)naphthalene
CID 57155988
(1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine
CID 170132338
5-fluoro-2-(4-fluorophenyl)aniline
CID 46312178
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
4,5-bis(4-fluorophenyl)benzene-1,2-diamine
CID 135324537
5-(2,4-difluorophenyl)-2-fluorobenzaldehyde
CID 61033868
4-(2,4-difluorophenyl)-2-methylphenol
CID 53218882

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)benzene-1,2-diamine?
The IUPAC name of 4-(2,4-difluorophenyl)benzene-1,2-diamine (CID 172847210) is 4-(2,4-difluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(2,4-difluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-(2,4-difluorophenyl)benzene-1,2-diamine is Nc1ccc(-c2ccc(F)cc2F)cc1N.
What is the InChIKey of 4-(2,4-difluorophenyl)benzene-1,2-diamine?
The InChIKey is XOUQOURXYMLESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c13-8-2-3-9(10(14)6-8)7-1-4-11(15)12(16)5-7/h1-6H,15-16H2.
What are the key properties of 4-(2,4-difluorophenyl)benzene-1,2-diamine?
4-(2,4-difluorophenyl)benzene-1,2-diamine has a molecular weight of 220.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 172847210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).