1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine

C9H9F4NO — CID 118989596

IUPAC1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4NO/c1-5(14)6-2-3-8(7(10)4-6)15-9(11,12)13/h2-5H,14H2,1H3
InChIKeyOQTYHJQUBPHRAL-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.74
Rot. Bonds2

About 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine

1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 118989596) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID118989596
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4NO/c1-5(14)6-2-3-8(7(10)4-6)15-9(11,12)13/h2-5H,14H2,1H3
InChIKeyOQTYHJQUBPHRAL-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003344
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylbutan-1-amine
CID 171227924
(1S)-2,2-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249160
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1S)-2,2,3,3,3-pentafluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171311762
(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol;hydrochloride
CID 121361674
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 171227894
(R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 129411595
(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol
CID 171263558
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171263557
(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 82956090

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine (CID 118989596) is 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine is CC(N)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is OQTYHJQUBPHRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c1-5(14)6-2-3-8(7(10)4-6)15-9(11,12)13/h2-5H,14H2,1H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine?
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 223.17 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 118989596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).