N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline

C14H10ClF4N — CID 83069311

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
SMILESCC(Nc1c(F)cc(F)cc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H10ClF4N/c1-7(8-2-3-10(15)11(17)4-8)20-14-12(18)5-9(16)6-13(14)19/h2-7,20H,1H3
InChIKeyMJPSYPHEUJIJTH-UHFFFAOYSA-N
MW303.69 g/mol
LogP5.07
Rot. Bonds3

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline (PubChem CID 83069311) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
PubChem CID83069311
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
SMILESCC(Nc1c(F)cc(F)cc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H10ClF4N/c1-7(8-2-3-10(15)11(17)4-8)20-14-12(18)5-9(16)6-13(14)19/h2-7,20H,1H3
InChIKeyMJPSYPHEUJIJTH-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.69
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 65469865
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 82888806
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103906173
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline (CID 83069311) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline is CC(Nc1c(F)cc(F)cc1F)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline?
The InChIKey is MJPSYPHEUJIJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c1-7(8-2-3-10(15)11(17)4-8)20-14-12(18)5-9(16)6-13(14)19/h2-7,20H,1H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline has a molecular weight of 303.69 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline is sourced from PubChem (CID 83069311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).