3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol

C10H18F3NO3S — CID 83058647

IUPAC3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO3S/c1-2-4-9(15)7-14(8-9)18(16,17)6-3-5-10(11,12)13/h15H,2-8H2,1H3
InChIKeyCGXMASQGPIUAIT-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.51
Rot. Bonds6

About 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol

3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol (PubChem CID 83058647) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol.

Molecular Properties

Compound Name3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol
PubChem CID83058647
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO3S/c1-2-4-9(15)7-14(8-9)18(16,17)6-3-5-10(11,12)13/h15H,2-8H2,1H3
InChIKeyCGXMASQGPIUAIT-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol?
The IUPAC name of 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol (CID 83058647) is 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol.
What is the SMILES notation for 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol?
The canonical SMILES for 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol is CCCC1(O)CN(S(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol?
The InChIKey is CGXMASQGPIUAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-2-4-9(15)7-14(8-9)18(16,17)6-3-5-10(11,12)13/h15H,2-8H2,1H3.
What are the key properties of 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol?
3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol has a molecular weight of 289.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol is sourced from PubChem (CID 83058647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).