3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine

C12H10F2N2 — CID 151865792

IUPAC3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine
SMILESNc1c(F)ccc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C12H10F2N2/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H,15-16H2
InChIKeySLQNLPFMYPNSJJ-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.80
Rot. Bonds1

About 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine

3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine (PubChem CID 151865792) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine
PubChem CID151865792
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine
SMILESNc1c(F)ccc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C12H10F2N2/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H,15-16H2
InChIKeySLQNLPFMYPNSJJ-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine (CID 151865792) is 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine is Nc1c(F)ccc(-c2ccc(F)cc2)c1N.
What is the InChIKey of 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine?
The InChIKey is SLQNLPFMYPNSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H,15-16H2.
What are the key properties of 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine?
3-fluoro-6-(4-fluorophenyl)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 3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 151865792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).