1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine

C13H11ClF2N2 — CID 103590102

IUPAC1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(Nc2ccc(Cl)c(F)c2)c(N)cc1F
InChIInChI=1S/C13H11ClF2N2/c1-7-4-13(12(17)6-10(7)15)18-8-2-3-9(14)11(16)5-8/h2-6,18H,17H2,1H3
InChIKeyUKTHPNHKPCUPGD-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.25
Rot. Bonds2

About 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine

1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine (PubChem CID 103590102) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
PubChem CID103590102
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(Nc2ccc(Cl)c(F)c2)c(N)cc1F
InChIInChI=1S/C13H11ClF2N2/c1-7-4-13(12(17)6-10(7)15)18-8-2-3-9(14)11(16)5-8/h2-6,18H,17H2,1H3
InChIKeyUKTHPNHKPCUPGD-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.25
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

4-chloro-1-N-(4-chloro-3-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 66077226
1-N-(3-chloro-4-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589840
1-N-(3,5-dichlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589866
4-chloro-5-fluoro-2-N-(3-iodo-4-methylphenyl)benzene-1,2-diamine
CID 114257054
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946
5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile
CID 103590292
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
1-N-(4-bromo-3-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66078253
1-N-(4-bromo-2-chlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589913
1-N-(4-bromo-3,5-dimethylphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 107571396
3-N-(2-chloro-4-fluoro-5-methylphenyl)benzene-1,3-diamine
CID 112734728
4-bromo-5-fluoro-1-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 66111485

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine (CID 103590102) is 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine is Cc1cc(Nc2ccc(Cl)c(F)c2)c(N)cc1F.
What is the InChIKey of 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine?
The InChIKey is UKTHPNHKPCUPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c1-7-4-13(12(17)6-10(7)15)18-8-2-3-9(14)11(16)5-8/h2-6,18H,17H2,1H3.
What are the key properties of 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine?
1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine has a molecular weight of 268.69 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103590102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).