2-chloro-4-fluoro-N-phenylaniline

C12H9ClFN — CID 86051149

IUPAC2-chloro-4-fluoro-N-phenylaniline
SMILESFc1ccc(Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C12H9ClFN/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h1-8,15H
InChIKeyQANIEFLAEZYCGS-UHFFFAOYSA-N
MW221.66 g/mol
LogP4.22
Rot. Bonds2

About 2-chloro-4-fluoro-N-phenylaniline

2-chloro-4-fluoro-N-phenylaniline (PubChem CID 86051149) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-phenylaniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-phenylaniline
PubChem CID86051149
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name2-chloro-4-fluoro-N-phenylaniline
SMILESFc1ccc(Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C12H9ClFN/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h1-8,15H
InChIKeyQANIEFLAEZYCGS-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158558488
2-bromo-4-fluoro-N-phenylaniline
CID 121009691
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
3-N-(2-chloro-4-fluorophenyl)-5-methylbenzene-1,3-diamine
CID 112647082
N-(2-chlorophenyl)-2,5-difluoroaniline
CID 82536991
2-chloro-4-fluoro-N-methylaniline
CID 21161232
N-(2-chlorophenyl)-3,5-difluoroaniline
CID 82536990
3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine
CID 29080237
3-N-(2-chloro-5-fluorophenyl)benzene-1,3-diamine
CID 107526846
(4-anilino-3-chlorophenyl)-phenylmethanone
CID 14243389
N-(2-chloro-4-fluorophenyl)-6-fluoropyridin-2-amine
CID 61228585

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-phenylaniline?
The IUPAC name of 2-chloro-4-fluoro-N-phenylaniline (CID 86051149) is 2-chloro-4-fluoro-N-phenylaniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-phenylaniline?
The canonical SMILES for 2-chloro-4-fluoro-N-phenylaniline is Fc1ccc(Nc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-phenylaniline?
The InChIKey is QANIEFLAEZYCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h1-8,15H.
What are the key properties of 2-chloro-4-fluoro-N-phenylaniline?
2-chloro-4-fluoro-N-phenylaniline has a molecular weight of 221.66 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-phenylaniline is sourced from PubChem (CID 86051149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).