4-(2-chloro-5-fluorophenyl)aniline

C12H9ClFN — CID 105395647

IUPAC4-(2-chloro-5-fluorophenyl)aniline
SMILESNc1ccc(-c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C12H9ClFN/c13-12-6-3-9(14)7-11(12)8-1-4-10(15)5-2-8/h1-7H,15H2
InChIKeyWKYBJZVYEACBAP-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.73
Rot. Bonds1

About 4-(2-chloro-5-fluorophenyl)aniline

4-(2-chloro-5-fluorophenyl)aniline (PubChem CID 105395647) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)aniline.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)aniline
PubChem CID105395647
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name4-(2-chloro-5-fluorophenyl)aniline
SMILESNc1ccc(-c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C12H9ClFN/c13-12-6-3-9(14)7-11(12)8-1-4-10(15)5-2-8/h1-7H,15H2
InChIKeyWKYBJZVYEACBAP-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-4-fluorophenyl)aniline
CID 115504877
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
4-(4-chloro-3-fluorophenyl)aniline
CID 3265089
4-(4-aminophenyl)-2,5-dichloroaniline
CID 154170226
3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline
CID 172654236
5-fluoro-2-(4-fluorophenyl)aniline
CID 46312178
N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
CID 105395732
[5-(2-chloro-5-fluorophenyl)-2-methylphenyl]methanol
CID 172654205
4,5-bis(4-fluorophenyl)benzene-1,2-diamine
CID 135324537
3-(4-aminophenyl)-4-chlorobenzenecarbothioamide;ethene
CID 143273491

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)aniline?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)aniline (CID 105395647) is 4-(2-chloro-5-fluorophenyl)aniline.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)aniline?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)aniline is Nc1ccc(-c2cc(F)ccc2Cl)cc1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)aniline?
The InChIKey is WKYBJZVYEACBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-12-6-3-9(14)7-11(12)8-1-4-10(15)5-2-8/h1-7H,15H2.
What are the key properties of 4-(2-chloro-5-fluorophenyl)aniline?
4-(2-chloro-5-fluorophenyl)aniline has a molecular weight of 221.66 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)aniline is sourced from PubChem (CID 105395647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).