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

C12H8ClF2N — CID 82536211

IUPAC3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
SMILESFc1cccc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H8ClF2N/c13-11-7-10(4-5-12(11)15)16-9-3-1-2-8(14)6-9/h1-7,16H
InChIKeyRAGROMIQRODXJE-UHFFFAOYSA-N
MW239.65 g/mol
LogP4.36
Rot. Bonds2

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

3-chloro-4-fluoro-N-(3-fluorophenyl)aniline (PubChem CID 82536211) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-fluorophenyl)aniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
PubChem CID82536211
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC Name3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
SMILESFc1cccc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H8ClF2N/c13-11-7-10(4-5-12(11)15)16-9-3-1-2-8(14)6-9/h1-7,16H
InChIKeyRAGROMIQRODXJE-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
3-(3-chloro-4-fluoroanilino)benzoic acid
CID 82536192
3-fluoro-N-phenylaniline
CID 2774466
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
CID 82536210
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
N-[4-(aminomethyl)phenyl]-3-fluoroaniline
CID 117027398
N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
CID 82536183
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-fluorophenyl)aniline?
The IUPAC name of 3-chloro-4-fluoro-N-(3-fluorophenyl)aniline (CID 82536211) is 3-chloro-4-fluoro-N-(3-fluorophenyl)aniline.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-fluorophenyl)aniline?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-fluorophenyl)aniline is Fc1cccc(Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-fluorophenyl)aniline?
The InChIKey is RAGROMIQRODXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-11-7-10(4-5-12(11)15)16-9-3-1-2-8(14)6-9/h1-7,16H.
What are the key properties of 3-chloro-4-fluoro-N-(3-fluorophenyl)aniline?
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline has a molecular weight of 239.65 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-fluorophenyl)aniline is sourced from PubChem (CID 82536211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).