3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine

C13H12F2N2 — CID 60789566

IUPAC3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cccc(F)c2N)c(F)c1
InChIInChI=1S/C13H12F2N2/c1-8-5-6-11(10(15)7-8)17-12-4-2-3-9(14)13(12)16/h2-7,17H,16H2,1H3
InChIKeyCSGMMAIOWNOLOK-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.60
Rot. Bonds2

About 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine

3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine (PubChem CID 60789566) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
PubChem CID60789566
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cccc(F)c2N)c(F)c1
InChIInChI=1S/C13H12F2N2/c1-8-5-6-11(10(15)7-8)17-12-4-2-3-9(14)13(12)16/h2-7,17H,16H2,1H3
InChIKeyCSGMMAIOWNOLOK-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.60
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

1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine
CID 80646846
1-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)hydrazine
CID 174805007
1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
CID 60789569
3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115126986
1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115127074
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554521
1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067499
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine (CID 60789566) is 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine is Cc1ccc(Nc2cccc(F)c2N)c(F)c1.
What is the InChIKey of 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine?
The InChIKey is CSGMMAIOWNOLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-8-5-6-11(10(15)7-8)17-12-4-2-3-9(14)13(12)16/h2-7,17H,16H2,1H3.
What are the key properties of 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine?
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine has a molecular weight of 234.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 60789566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).