3-chloro-2-fluoro-4-(2-fluorophenyl)aniline

C12H8ClF2N — CID 171933263

IUPAC3-chloro-2-fluoro-4-(2-fluorophenyl)aniline
SMILESNc1ccc(-c2ccccc2F)c(Cl)c1F
InChIInChI=1S/C12H8ClF2N/c13-11-8(5-6-10(16)12(11)15)7-3-1-2-4-9(7)14/h1-6H,16H2
InChIKeyNLHIHOICUSPAPA-UHFFFAOYSA-N
MW239.65 g/mol
LogP3.87
Rot. Bonds1

About 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline

3-chloro-2-fluoro-4-(2-fluorophenyl)aniline (PubChem CID 171933263) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-4-(2-fluorophenyl)aniline
PubChem CID171933263
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC Name3-chloro-2-fluoro-4-(2-fluorophenyl)aniline
SMILESNc1ccc(-c2ccccc2F)c(Cl)c1F
InChIInChI=1S/C12H8ClF2N/c13-11-8(5-6-10(16)12(11)15)7-3-1-2-4-9(7)14/h1-6H,16H2
InChIKeyNLHIHOICUSPAPA-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline?
The IUPAC name of 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline (CID 171933263) is 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline.
What is the SMILES notation for 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline?
The canonical SMILES for 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline is Nc1ccc(-c2ccccc2F)c(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline?
The InChIKey is NLHIHOICUSPAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-11-8(5-6-10(16)12(11)15)7-3-1-2-4-9(7)14/h1-6H,16H2.
What are the key properties of 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline?
3-chloro-2-fluoro-4-(2-fluorophenyl)aniline has a molecular weight of 239.65 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-4-(2-fluorophenyl)aniline is sourced from PubChem (CID 171933263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).