1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol

C12H14F3NOS — CID 63282006

IUPAC1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol
SMILESOC1CN(CCSc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)9-2-1-3-11(6-9)18-5-4-16-7-10(17)8-16/h1-3,6,10,17H,4-5,7-8H2
InChIKeyFZKLSNOTIVDWAA-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.47
Rot. Bonds4

About 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol

1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol (PubChem CID 63282006) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol
PubChem CID63282006
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol
SMILESOC1CN(CCSc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)9-2-1-3-11(6-9)18-5-4-16-7-10(17)8-16/h1-3,6,10,17H,4-5,7-8H2
InChIKeyFZKLSNOTIVDWAA-UHFFFAOYSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol
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2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
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N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]propan-2-amine
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1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
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N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine
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CID 173393479

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol?
The IUPAC name of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol (CID 63282006) is 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol is OC1CN(CCSc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol?
The InChIKey is FZKLSNOTIVDWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c13-12(14,15)9-2-1-3-11(6-9)18-5-4-16-7-10(17)8-16/h1-3,6,10,17H,4-5,7-8H2.
What are the key properties of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol?
1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol has a molecular weight of 277.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol is sourced from PubChem (CID 63282006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).