4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline

C15H13F4N — CID 63455608

IUPAC4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C15H13F4N/c1-10(11-5-3-2-4-6-11)20-12-7-8-14(16)13(9-12)15(17,18)19/h2-10,20H,1H3
InChIKeyBUHZLRSJDKSONR-UHFFFAOYSA-N
MW283.27 g/mol
LogP5.02
Rot. Bonds3

About 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline

4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline (PubChem CID 63455608) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
PubChem CID63455608
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C15H13F4N/c1-10(11-5-3-2-4-6-11)20-12-7-8-14(16)13(9-12)15(17,18)19/h2-10,20H,1H3
InChIKeyBUHZLRSJDKSONR-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.27
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 61227454
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 63455967
N-[1-(2-bromophenyl)ethyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63455430
3-[4-fluoro-3-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 79390899
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 43680401
3-bromo-4-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 104776143
2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679351
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 61227651
4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol
CID 43245794
4-bromo-3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 65437825

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline (CID 63455608) is 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline is CC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline?
The InChIKey is BUHZLRSJDKSONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-10(11-5-3-2-4-6-11)20-12-7-8-14(16)13(9-12)15(17,18)19/h2-10,20H,1H3.
What are the key properties of 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline?
4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline has a molecular weight of 283.27 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63455608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).