(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol

C7H12F2O3S — CID 118370624

IUPAC(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol
SMILESO=S1(=O)CC[C@H](C(F)F)C[C@H](O)C1
InChIInChI=1S/C7H12F2O3S/c8-7(9)5-1-2-13(11,12)4-6(10)3-5/h5-7,10H,1-4H2/t5-,6-/m0/s1
InChIKeyFAVOCYITEMDDQM-WDSKDSINSA-N
MW214.23 g/mol
LogP0.44
Rot. Bonds1

About (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol

(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol (PubChem CID 118370624) has the molecular formula C7H12F2O3S and a molecular weight of 214.23 g/mol. Its IUPAC name is (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol
PubChem CID118370624
Molecular FormulaC7H12F2O3S
Molecular Weight214.23 g/mol
Exact Mass214.05
IUPAC Name(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol
SMILESO=S1(=O)CC[C@H](C(F)F)C[C@H](O)C1
InChIInChI=1S/C7H12F2O3S/c8-7(9)5-1-2-13(11,12)4-6(10)3-5/h5-7,10H,1-4H2/t5-,6-/m0/s1
InChIKeyFAVOCYITEMDDQM-WDSKDSINSA-N
XLogP0.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol?
The IUPAC name of (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol (CID 118370624) is (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol.
What is the SMILES notation for (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol?
The canonical SMILES for (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol is O=S1(=O)CC[C@H](C(F)F)C[C@H](O)C1.
What is the InChIKey of (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol?
The InChIKey is FAVOCYITEMDDQM-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12F2O3S/c8-7(9)5-1-2-13(11,12)4-6(10)3-5/h5-7,10H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol?
(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol has a molecular weight of 214.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol is sourced from PubChem (CID 118370624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).