N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline

C15H12ClF4N — CID 83058691

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H12ClF4N/c1-9(10-5-6-13(16)14(17)7-10)21-12-4-2-3-11(8-12)15(18,19)20/h2-9,21H,1H3
InChIKeyVYLVBNHSJGGRBZ-UHFFFAOYSA-N
MW317.71 g/mol
LogP5.67
Rot. Bonds3

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline

N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 83058691) has the molecular formula C15H12ClF4N and a molecular weight of 317.71 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline
PubChem CID83058691
Molecular FormulaC15H12ClF4N
Molecular Weight317.71 g/mol
Exact Mass317.06
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H12ClF4N/c1-9(10-5-6-13(16)14(17)7-10)21-12-4-2-3-11(8-12)15(18,19)20/h2-9,21H,1H3
InChIKeyVYLVBNHSJGGRBZ-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.71
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069843
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
3-chloro-4-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107164
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
4-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3,5-dimethylaniline
CID 107571978
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 43721439
N-[1-(4-chloro-3-fluorophenyl)ethyl]-6-methylpyridin-3-amine
CID 83069397
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43110480
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline (CID 83058691) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline is CC(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is VYLVBNHSJGGRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4N/c1-9(10-5-6-13(16)14(17)7-10)21-12-4-2-3-11(8-12)15(18,19)20/h2-9,21H,1H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 317.71 g/mol, XLogP of 5.67, 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]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 83058691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).