4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline

C14H12ClF2N — CID 43226871

IUPAC4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1F)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2N/c1-9(10-2-5-12(16)6-3-10)18-14-7-4-11(15)8-13(14)17/h2-9,18H,1H3
InChIKeyAADCXKPVAOVWQK-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.79
Rot. Bonds3

About 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline

4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline (PubChem CID 43226871) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
PubChem CID43226871
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1F)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2N/c1-9(10-2-5-12(16)6-3-10)18-14-7-4-11(15)8-13(14)17/h2-9,18H,1H3
InChIKeyAADCXKPVAOVWQK-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43716632
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785070
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
CID 60713097
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43785087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline (CID 43226871) is 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline is CC(Nc1ccc(Cl)cc1F)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The InChIKey is AADCXKPVAOVWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9(10-2-5-12(16)6-3-10)18-14-7-4-11(15)8-13(14)17/h2-9,18H,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline has a molecular weight of 267.71 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43226871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).