4-(2,2-difluoroethyl)thiolan-3-ol

C6H10F2OS — CID 83190726

IUPAC4-(2,2-difluoroethyl)thiolan-3-ol
SMILESOC1CSCC1CC(F)F
InChIInChI=1S/C6H10F2OS/c7-6(8)1-4-2-10-3-5(4)9/h4-6,9H,1-3H2
InChIKeyFHYAUZBVHUOKLB-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.37
Rot. Bonds2

About 4-(2,2-difluoroethyl)thiolan-3-ol

4-(2,2-difluoroethyl)thiolan-3-ol (PubChem CID 83190726) has the molecular formula C6H10F2OS and a molecular weight of 168.21 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)thiolan-3-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)thiolan-3-ol
PubChem CID83190726
Molecular FormulaC6H10F2OS
Molecular Weight168.21 g/mol
Exact Mass168.04
IUPAC Name4-(2,2-difluoroethyl)thiolan-3-ol
SMILESOC1CSCC1CC(F)F
InChIInChI=1S/C6H10F2OS/c7-6(8)1-4-2-10-3-5(4)9/h4-6,9H,1-3H2
InChIKeyFHYAUZBVHUOKLB-UHFFFAOYSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)thiolan-3-ol?
The IUPAC name of 4-(2,2-difluoroethyl)thiolan-3-ol (CID 83190726) is 4-(2,2-difluoroethyl)thiolan-3-ol.
What is the SMILES notation for 4-(2,2-difluoroethyl)thiolan-3-ol?
The canonical SMILES for 4-(2,2-difluoroethyl)thiolan-3-ol is OC1CSCC1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)thiolan-3-ol?
The InChIKey is FHYAUZBVHUOKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2OS/c7-6(8)1-4-2-10-3-5(4)9/h4-6,9H,1-3H2.
What are the key properties of 4-(2,2-difluoroethyl)thiolan-3-ol?
4-(2,2-difluoroethyl)thiolan-3-ol has a molecular weight of 168.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)thiolan-3-ol is sourced from PubChem (CID 83190726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).