3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine

C13H11F3N2 — CID 113325134

IUPAC3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
SMILESCc1cc(F)ccc1Nc1cc(F)cc(F)c1N
InChIInChI=1S/C13H11F3N2/c1-7-4-8(14)2-3-11(7)18-12-6-9(15)5-10(16)13(12)17/h2-6,18H,17H2,1H3
InChIKeyPQXLRBKEIYZJEP-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.74
Rot. Bonds2

About 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine

3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine (PubChem CID 113325134) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
PubChem CID113325134
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
SMILESCc1cc(F)ccc1Nc1cc(F)cc(F)c1N
InChIInChI=1S/C13H11F3N2/c1-7-4-8(14)2-3-11(7)18-12-6-9(15)5-10(16)13(12)17/h2-6,18H,17H2,1H3
InChIKeyPQXLRBKEIYZJEP-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.74
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-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506549
4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
6-N-(4-fluoro-2-methylphenyl)isoquinoline-5,6-diamine
CID 106947584
4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
CID 63599579
1-N-(5-chloro-2-fluorophenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506596
1-N-(3,5-dimethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506548
1-N-(4-tert-butylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506512
4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine
CID 115124059
3,5-difluoro-1-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 113325112

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine (CID 113325134) is 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine is Cc1cc(F)ccc1Nc1cc(F)cc(F)c1N.
What is the InChIKey of 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine?
The InChIKey is PQXLRBKEIYZJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-7-4-8(14)2-3-11(7)18-12-6-9(15)5-10(16)13(12)17/h2-6,18H,17H2,1H3.
What are the key properties of 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine?
3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine has a molecular weight of 252.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 113325134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).