1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine

C12H9ClF2N2 — CID 60789569

IUPAC1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H9ClF2N2/c13-7-4-5-8(14)11(6-7)17-10-3-1-2-9(15)12(10)16/h1-6,17H,16H2
InChIKeyUOJRPGUKJHVGGK-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.94
Rot. Bonds2

About 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine

1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine (PubChem CID 60789569) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
PubChem CID60789569
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC Name1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H9ClF2N2/c13-7-4-5-8(14)11(6-7)17-10-3-1-2-9(15)12(10)16/h1-6,17H,16H2
InChIKeyUOJRPGUKJHVGGK-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.94
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-(5-chloro-2-fluorophenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506596
3-chloro-1-N-(2,4,5-trifluorophenyl)benzene-1,2-diamine
CID 104834471
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
1-N-(5-chlorothiophen-2-yl)-3-fluorobenzene-1,2-diamine
CID 115126969
2-amino-3-(4-chloro-2-fluoroanilino)benzamide
CID 113332736
1-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-fluorobenzene-1,2-diamine
CID 65476001
1-N-(2-bromo-5-chlorophenyl)-3-methylbenzene-1,2-diamine
CID 114041326
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
3-(5-chloro-2-fluoroanilino)-2-nitrobenzoic acid
CID 115542164
2-amino-3-(2,5-difluoroanilino)benzenesulfonamide
CID 115992299
1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 61380758

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine (CID 60789569) is 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine is Nc1c(F)cccc1Nc1cc(Cl)ccc1F.
What is the InChIKey of 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is UOJRPGUKJHVGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/c13-7-4-5-8(14)11(6-7)17-10-3-1-2-9(15)12(10)16/h1-6,17H,16H2.
What are the key properties of 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine?
1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine has a molecular weight of 254.67 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 60789569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).