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

C9H16F3NOS — CID 116617474

IUPAC3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESCCCC1(O)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-2-3-8(14)6-13(7-8)4-5-15-9(10,11)12/h14H,2-7H2,1H3
InChIKeyVMZYQBSQNXJMQA-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.09
Rot. Bonds5

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

3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (PubChem CID 116617474) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
PubChem CID116617474
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
SMILESCCCC1(O)CN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-2-3-8(14)6-13(7-8)4-5-15-9(10,11)12/h14H,2-7H2,1H3
InChIKeyVMZYQBSQNXJMQA-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propyl-1-(3,3,3-trifluoropropyl)azetidin-3-ol
CID 65942571
3-Propyl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
CID 115518096
3-Ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617473
3-Propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617475
3-Cyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617476
3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
CID 116617494
1-[[Methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 116628315
2-Methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol
CID 106246329
1-(2-Methylsulfanylethyl)-3-propylazetidin-3-ol
CID 116100988
1-(3-Ethylsulfanylpropyl)-3-propylazetidin-3-ol
CID 116100989
1-(3-Methylsulfanylpropyl)-3-propylazetidin-3-ol
CID 116100990
1-(2-Ethylsulfanylethyl)-3-propylazetidin-3-ol
CID 116100991

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The IUPAC name of 3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol (CID 116617474) is 3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol.
What is the SMILES notation for 3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The canonical SMILES for 3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is CCCC1(O)CN(CCSC(F)(F)F)C1.
What is the InChIKey of 3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
The InChIKey is VMZYQBSQNXJMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-2-3-8(14)6-13(7-8)4-5-15-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of 3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol?
3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol has a molecular weight of 243.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol is sourced from PubChem (CID 116617474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).