4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline

C14H10Cl4FN — CID 43785087

IUPAC4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1F)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H10Cl4FN/c1-7(9-3-4-10(16)14(18)13(9)17)20-12-5-2-8(15)6-11(12)19/h2-7,20H,1H3
InChIKeyQJHKVLZMBUADJR-UHFFFAOYSA-N
MW353.05 g/mol
LogP6.61
Rot. Bonds3

About 4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline

4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline (PubChem CID 43785087) has the molecular formula C14H10Cl4FN and a molecular weight of 353.05 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
PubChem CID43785087
Molecular FormulaC14H10Cl4FN
Molecular Weight353.05 g/mol
Exact Mass350.96
IUPAC Name4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1F)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H10Cl4FN/c1-7(9-3-4-10(16)14(18)13(9)17)20-12-5-2-8(15)6-11(12)19/h2-7,20H,1H3
InChIKeyQJHKVLZMBUADJR-UHFFFAOYSA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.05
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43775999
4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
CID 43716586
2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
CID 43716635
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43763076
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
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
1-(2,3,4-trichlorophenyl)ethylhydrazine
CID 53402187
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
3-(4-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65337978
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
3-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43755615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline (CID 43785087) is 4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline is CC(Nc1ccc(Cl)cc1F)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
The InChIKey is QJHKVLZMBUADJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4FN/c1-7(9-3-4-10(16)14(18)13(9)17)20-12-5-2-8(15)6-11(12)19/h2-7,20H,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline has a molecular weight of 353.05 g/mol, XLogP of 6.61, 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-(2,3,4-trichlorophenyl)ethyl]aniline is sourced from PubChem (CID 43785087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).