1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine

C9H9F4N — CID 18543066

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9F4N/c1-5(14)6-2-7(9(11,12)13)4-8(10)3-6/h2-5H,14H2,1H3
InChIKeyCYBTYBCFSPUKPL-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.86
Rot. Bonds1

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine

1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 18543066) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
PubChem CID18543066
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9F4N/c1-5(14)6-2-7(9(11,12)13)4-8(10)3-6/h2-5H,14H2,1H3
InChIKeyCYBTYBCFSPUKPL-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242162
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171268937
(1R,2S)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263263
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 118492024
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517668
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171268942
3-(1-aminoethyl)-5-(trifluoromethyl)benzonitrile
CID 130021981
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171226978
3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)benzonitrile
CID 131479174

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine (CID 18543066) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine is CC(N)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is CYBTYBCFSPUKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c1-5(14)6-2-7(9(11,12)13)4-8(10)3-6/h2-5H,14H2,1H3.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 207.17 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 18543066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).