1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine

C10H11F4NO — CID 77492759

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
SMILESCC(N)COc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-6(15)5-16-9-3-2-7(11)4-8(9)10(12,13)14/h2-4,6H,5,15H2,1H3
InChIKeyTZUMNPUJGPLFAY-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.57
Rot. Bonds3

About 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine

1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine (PubChem CID 77492759) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
PubChem CID77492759
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
SMILESCC(N)COc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-6(15)5-16-9-3-2-7(11)4-8(9)10(12,13)14/h2-4,6H,5,15H2,1H3
InChIKeyTZUMNPUJGPLFAY-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[4-fluoro-2-[(2R)-1,1,1-trifluoropropan-2-yl]phenoxy]propan-2-amine
CID 129387984
4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607729
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 55205483
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171209069
1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 65364910
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine (CID 77492759) is 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine is CC(N)COc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine?
The InChIKey is TZUMNPUJGPLFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-6(15)5-16-9-3-2-7(11)4-8(9)10(12,13)14/h2-4,6H,5,15H2,1H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine?
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine has a molecular weight of 237.20 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine is sourced from PubChem (CID 77492759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).