3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline

C15H13F4N — CID 43099199

IUPAC3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1cccc(F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F4N/c1-10(20-12-6-4-5-11(16)9-12)13-7-2-3-8-14(13)15(17,18)19/h2-10,20H,1H3
InChIKeySHPCKZPJWZARTD-UHFFFAOYSA-N
MW283.27 g/mol
LogP5.02
Rot. Bonds3

About 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline

3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 43099199) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID43099199
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1cccc(F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F4N/c1-10(20-12-6-4-5-11(16)9-12)13-7-2-3-8-14(13)15(17,18)19/h2-10,20H,1H3
InChIKeySHPCKZPJWZARTD-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

3-bromo-4-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 104776143
4-bromo-3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 65437825
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43555398
N-[1-(2-bromophenyl)ethyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63455430
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
CID 43194276
6-methoxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyridin-3-amine
CID 43093893
3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 107630374
3-chloro-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43098144
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline (CID 43099199) is 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline is CC(Nc1cccc(F)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is SHPCKZPJWZARTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-10(20-12-6-4-5-11(16)9-12)13-7-2-3-8-14(13)15(17,18)19/h2-10,20H,1H3.
What are the key properties of 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]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 3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43099199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).