(2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol

C6H8F2O2S — CID 101189562

IUPAC(2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol
SMILESOC[C@H]1SCC(=C(F)F)[C@@H]1O
InChIInChI=1S/C6H8F2O2S/c7-6(8)3-2-11-4(1-9)5(3)10/h4-5,9-10H,1-2H2/t4-,5+/m1/s1
InChIKeyMHWHOUZJITWABR-UHNVWZDZSA-N
MW182.19 g/mol
LogP0.61
Rot. Bonds1

About (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol

(2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol (PubChem CID 101189562) has the molecular formula C6H8F2O2S and a molecular weight of 182.19 g/mol. Its IUPAC name is (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol
PubChem CID101189562
Molecular FormulaC6H8F2O2S
Molecular Weight182.19 g/mol
Exact Mass182.02
IUPAC Name(2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol
SMILESOC[C@H]1SCC(=C(F)F)[C@@H]1O
InChIInChI=1S/C6H8F2O2S/c7-6(8)3-2-11-4(1-9)5(3)10/h4-5,9-10H,1-2H2/t4-,5+/m1/s1
InChIKeyMHWHOUZJITWABR-UHNVWZDZSA-N
XLogP0.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol?
The IUPAC name of (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol (CID 101189562) is (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol.
What is the SMILES notation for (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol?
The canonical SMILES for (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol is OC[C@H]1SCC(=C(F)F)[C@@H]1O.
What is the InChIKey of (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol?
The InChIKey is MHWHOUZJITWABR-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H8F2O2S/c7-6(8)3-2-11-4(1-9)5(3)10/h4-5,9-10H,1-2H2/t4-,5+/m1/s1.
What are the key properties of (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol?
(2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol has a molecular weight of 182.19 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol is sourced from PubChem (CID 101189562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).