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

C9H14F3NOS — CID 116617476

IUPAC3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESOC1(C2CC2)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H14F3NOS/c10-9(11,12)15-4-3-13-5-8(14,6-13)7-1-2-7/h7,14H,1-6H2
InChIKeyPQOKHIFCJVNODH-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.70
Rot. Bonds4

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

3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (PubChem CID 116617476) has the molecular formula C9H14F3NOS and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
PubChem CID116617476
Molecular FormulaC9H14F3NOS
Molecular Weight241.28 g/mol
Exact Mass241.07
IUPAC Name3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESOC1(C2CC2)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H14F3NOS/c10-9(11,12)15-4-3-13-5-8(14,6-13)7-1-2-7/h7,14H,1-6H2
InChIKeyPQOKHIFCJVNODH-UHFFFAOYSA-N
XLogP1.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclopropyl-1-(2,2,2-trifluoroethyl)azetidin-3-ol
CID 65938314
3-Cyclopropyl-1-(3,3,3-trifluoropropyl)azetidin-3-ol
CID 65938508
3-Cyclopropyl-1-(2,2-difluoroethyl)azetidin-3-ol
CID 65939691
3-Cyclopropyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
CID 115518098
3-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617474
3-Propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617475
3-Cyclopropyl-1-(2-methylsulfanylethyl)azetidin-3-ol
CID 116100996
3-Cyclopropyl-1-(3-ethylsulfanylpropyl)azetidin-3-ol
CID 116100997
3-Cyclopropyl-1-(3-methylsulfanylpropyl)azetidin-3-ol
CID 116100998
3-Cyclopropyl-1-(2-ethylsulfanylethyl)azetidin-3-ol
CID 116100999
3-Cyclopropyl-1-(2-sulfanylethyl)azetidin-3-ol
CID 130834391

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (CID 116617476) is 3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is OC1(C2CC2)CN(CCSC(F)(F)F)C1.
What is the InChIKey of 3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The InChIKey is PQOKHIFCJVNODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NOS/c10-9(11,12)15-4-3-13-5-8(14,6-13)7-1-2-7/h7,14H,1-6H2.
What are the key properties of 3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
3-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol has a molecular weight of 241.28 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-cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is sourced from PubChem (CID 116617476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).