2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline

C15H12F5N — CID 43107244

IUPAC2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F5N/c1-9(21-14-6-5-12(16)8-13(14)17)10-3-2-4-11(7-10)15(18,19)20/h2-9,21H,1H3
InChIKeyXPLJSJIIMGJXMA-UHFFFAOYSA-N
MW301.26 g/mol
LogP5.16
Rot. Bonds3

About 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline

2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 43107244) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID43107244
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F5N/c1-9(21-14-6-5-12(16)8-13(14)17)10-3-2-4-11(7-10)15(18,19)20/h2-9,21H,1H3
InChIKeyXPLJSJIIMGJXMA-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.26
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43119400
4-fluoro-2-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 79758863
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479729
5-chloro-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43094249
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43110480
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrimidin-4-amine
CID 174925522
3-chloro-4-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107164
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline (CID 43107244) is 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline is CC(Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is XPLJSJIIMGJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/c1-9(21-14-6-5-12(16)8-13(14)17)10-3-2-4-11(7-10)15(18,19)20/h2-9,21H,1H3.
What are the key properties of 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline?
2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline has a molecular weight of 301.26 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43107244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).