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

C10H16F3NO3S — CID 83058919

IUPAC3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CC(O)(C2CC2)C1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)4-1-5-18(16,17)14-6-9(15,7-14)8-2-3-8/h8,15H,1-7H2
InChIKeyCCBMTWYFSKVFHJ-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.12
Rot. Bonds5

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

3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol (PubChem CID 83058919) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol
PubChem CID83058919
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC Name3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CC(O)(C2CC2)C1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)4-1-5-18(16,17)14-6-9(15,7-14)8-2-3-8/h8,15H,1-7H2
InChIKeyCCBMTWYFSKVFHJ-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol (CID 83058919) is 3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol is O=S(=O)(CCCC(F)(F)F)N1CC(O)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol?
The InChIKey is CCBMTWYFSKVFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c11-10(12,13)4-1-5-18(16,17)14-6-9(15,7-14)8-2-3-8/h8,15H,1-7H2.
What are the key properties of 3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol?
3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol has a molecular weight of 287.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol is sourced from PubChem (CID 83058919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).