4-(4-chloro-3-fluorophenyl)aniline

C12H9ClFN — CID 3265089

IUPAC4-(4-chloro-3-fluorophenyl)aniline
SMILESNc1ccc(-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C12H9ClFN/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1-7H,15H2
InChIKeyWKFBSNCXBGEYGG-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.73
Rot. Bonds1

About 4-(4-chloro-3-fluorophenyl)aniline

4-(4-chloro-3-fluorophenyl)aniline (PubChem CID 3265089) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)aniline.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)aniline
PubChem CID3265089
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name4-(4-chloro-3-fluorophenyl)aniline
SMILESNc1ccc(-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C12H9ClFN/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1-7H,15H2
InChIKeyWKFBSNCXBGEYGG-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-chloro-3-fluoroaniline
CID 2736511
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine
CID 168960336
4-(4-chlorophenyl)-2,6-difluoroaniline
CID 123806482
2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168591423
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(2-chloro-4-fluorophenyl)aniline
CID 115504877
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
4-(4-chloro-3-methoxyphenyl)-3-fluoroaniline
CID 79711769
3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866005

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)aniline?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)aniline (CID 3265089) is 4-(4-chloro-3-fluorophenyl)aniline.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)aniline?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)aniline is Nc1ccc(-c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)aniline?
The InChIKey is WKFBSNCXBGEYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1-7H,15H2.
What are the key properties of 4-(4-chloro-3-fluorophenyl)aniline?
4-(4-chloro-3-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-(4-chloro-3-fluorophenyl)aniline is sourced from PubChem (CID 3265089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).