1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine

C12H10ClFN2 — CID 29067195

IUPAC1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C12H10ClFN2/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,16H,15H2
InChIKeyFATPWZLHTHPFBX-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.80
Rot. Bonds2

About 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine

1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine (PubChem CID 29067195) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
PubChem CID29067195
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C12H10ClFN2/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,16H,15H2
InChIKeyFATPWZLHTHPFBX-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.80
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-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline
CID 82303958
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
3-N-(4-chloro-2-fluorophenyl)benzene-1,3-diamine
CID 61469504
1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
CID 134408936
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
CID 64914398
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117
1-N-(4-chloro-2-fluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 54954908

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine (CID 29067195) is 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine is Nc1ccc(Nc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is FATPWZLHTHPFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,16H,15H2.
What are the key properties of 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine?
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine has a molecular weight of 236.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 29067195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).