1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine

C13H15F4NO — CID 107288743

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4NO/c14-11-6-8(3-4-10(11)13(15,16)17)12(18)7-9-2-1-5-19-9/h3-4,6,9,12H,1-2,5,7,18H2
InChIKeyHSCOIWDCIBBEHS-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.41
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine

1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 107288743) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine
PubChem CID107288743
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4NO/c14-11-6-8(3-4-10(11)13(15,16)17)12(18)7-9-2-1-5-19-9/h3-4,6,9,12H,1-2,5,7,18H2
InChIKeyHSCOIWDCIBBEHS-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
CID 107291454
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171209483
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288993
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171249564
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 115847288
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 107993675
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
1-(4-bromo-2,5-difluorophenyl)-2-(oxolan-2-yl)ethanamine
CID 65156453

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine (CID 107288743) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine is NC(CC1CCCO1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is HSCOIWDCIBBEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-11-6-8(3-4-10(11)13(15,16)17)12(18)7-9-2-1-5-19-9/h3-4,6,9,12H,1-2,5,7,18H2.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 277.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 107288743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).