1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine

C12H9ClF2N2 — CID 29080215

IUPAC1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C12H9ClF2N2/c13-9-5-7(14)1-3-11(9)17-12-4-2-8(16)6-10(12)15/h1-6,17H,16H2
InChIKeyFEFBYAMVOZPCJO-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.94
Rot. Bonds2

About 1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine

1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine (PubChem CID 29080215) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is 1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
PubChem CID29080215
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC Name1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C12H9ClF2N2/c13-9-5-7(14)1-3-11(9)17-12-4-2-8(16)6-10(12)15/h1-6,17H,16H2
InChIKeyFEFBYAMVOZPCJO-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-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450
1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
CID 66094766
1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 103477514
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine (CID 29080215) is 1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine is Nc1ccc(Nc2ccc(F)cc2Cl)c(F)c1.
What is the InChIKey of 1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is FEFBYAMVOZPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/c13-9-5-7(14)1-3-11(9)17-12-4-2-8(16)6-10(12)15/h1-6,17H,16H2.
What are the key properties of 1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine?
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-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-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 29080215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).