5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine

C13H12F2N2 — CID 154997215

IUPAC5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cc(F)cc1Nc1ccccc1F
InChIInChI=1S/C13H12F2N2/c1-8-11(16)6-9(14)7-13(8)17-12-5-3-2-4-10(12)15/h2-7,17H,16H2,1H3
InChIKeyYVVSKDAFWXSWLM-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.60
Rot. Bonds2

About 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine

5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine (PubChem CID 154997215) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
PubChem CID154997215
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cc(F)cc1Nc1ccccc1F
InChIInChI=1S/C13H12F2N2/c1-8-11(16)6-9(14)7-13(8)17-12-5-3-2-4-10(12)15/h2-7,17H,16H2,1H3
InChIKeyYVVSKDAFWXSWLM-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

3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293
5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine
CID 154647860
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 117027231
3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine
CID 166965194
5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine
CID 154647622
3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
CID 79048706
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
2-N-(2,3-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281232

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine (CID 154997215) is 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine is Cc1c(N)cc(F)cc1Nc1ccccc1F.
What is the InChIKey of 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine?
The InChIKey is YVVSKDAFWXSWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-8-11(16)6-9(14)7-13(8)17-12-5-3-2-4-10(12)15/h2-7,17H,16H2,1H3.
What are the key properties of 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine?
5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-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 5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 154997215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).