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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Related Compounds

5-fluoro-2-(4-fluorophenyl)aniline
CID 46312178
2-(4-chlorophenyl)-6-fluoroaniline
CID 107602778
4,5-bis(4-fluorophenyl)benzene-1,2-diamine
CID 135324537
2,6-difluoro-3-phenylaniline
CID 68725950
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine
CID 143768417
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
2,6-difluoro-3-pyridin-4-ylaniline
CID 165453925
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene
CID 70907482
2-bromo-4-chloro-1-(4-fluorophenyl)benzene
CID 168802728
4-(2,3,4-trifluorophenyl)aniline
CID 62965800

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).