3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol

C8H14F3NOS — CID 116617473

IUPAC3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESCCC1(O)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c1-2-7(13)5-12(6-7)3-4-14-8(9,10)11/h13H,2-6H2,1H3
InChIKeyLNQCFSDFCPUQKA-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.70
Rot. Bonds4

About 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol

3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (PubChem CID 116617473) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
PubChem CID116617473
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESCCC1(O)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c1-2-7(13)5-12(6-7)3-4-14-8(9,10)11/h13H,2-6H2,1H3
InChIKeyLNQCFSDFCPUQKA-UHFFFAOYSA-N
XLogP1.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1-(3,3,3-trifluoropropyl)azetidin-3-ol
CID 65929473
3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol
CID 104891395
3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617472
3-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617474
3-Propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617475
2-Methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol
CID 116617480
1-[Ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol
CID 116617481
2-[(Azetidin-1-yl)methyl]-1,1,1-trifluorobutan-2-ol
CID 165874053
3-(Difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol
CID 167975178
3-Ethyl-1-(2-methylsulfanylethyl)azetidin-3-ol
CID 116100984
3-Ethyl-1-(3-ethylsulfanylpropyl)azetidin-3-ol
CID 116100985
3-Ethyl-1-(3-methylsulfanylpropyl)azetidin-3-ol
CID 116100986

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The IUPAC name of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (CID 116617473) is 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.
What is the SMILES notation for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The canonical SMILES for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is CCC1(O)CN(CCSC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The InChIKey is LNQCFSDFCPUQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-2-7(13)5-12(6-7)3-4-14-8(9,10)11/h13H,2-6H2,1H3.
What are the key properties of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol has a molecular weight of 229.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is sourced from PubChem (CID 116617473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).