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

C9H16F3NOS — CID 116617475

IUPAC3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESCC(C)C1(O)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-7(2)8(14)5-13(6-8)3-4-15-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyOOBUURDQZODPJK-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.94
Rot. Bonds4

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

3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (PubChem CID 116617475) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
PubChem CID116617475
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESCC(C)C1(O)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-7(2)8(14)5-13(6-8)3-4-15-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyOOBUURDQZODPJK-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propan-2-yl-1-(3,3,3-trifluoropropyl)azetidin-3-ol
CID 65940686
3-Propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
CID 115518097
3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617472
3-Ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617473
3-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617474
3-Cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617476
3-(Difluoromethyl)-1-(thiolan-3-ylmethyl)azetidin-3-ol
CID 167975178
3-Propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol
CID 91262000
2-Methyl-1-methylsulfanyl-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol
CID 106246330
1-(3-Ethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246360
2,3-Dimethyl-1-[methyl(2-methylsulfanylethyl)amino]butan-2-ol
CID 114449058
3-Ethyl-1-(2-methylsulfanylethyl)azetidin-3-ol
CID 116100984

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The IUPAC name of 3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (CID 116617475) is 3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.
What is the SMILES notation for 3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The canonical SMILES for 3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is CC(C)C1(O)CN(CCSC(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The InChIKey is OOBUURDQZODPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-7(2)8(14)5-13(6-8)3-4-15-9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol has a molecular weight of 243.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is sourced from PubChem (CID 116617475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).