4,4-difluorothiane

C5H8F2S — CID 176888502

IUPAC4,4-difluorothiane
SMILESFC1(F)CCSCC1
InChIInChI=1S/C5H8F2S/c6-5(7)1-3-8-4-2-5/h1-4H2
InChIKeyAIWKQYJLMDWPPL-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.15
Rot. Bonds

About 4,4-difluorothiane

4,4-difluorothiane (PubChem CID 176888502) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 4,4-difluorothiane.

Molecular Properties

Compound Name4,4-difluorothiane
PubChem CID176888502
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name4,4-difluorothiane
SMILESFC1(F)CCSCC1
InChIInChI=1S/C5H8F2S/c6-5(7)1-3-8-4-2-5/h1-4H2
InChIKeyAIWKQYJLMDWPPL-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorothiane?
The IUPAC name of 4,4-difluorothiane (CID 176888502) is 4,4-difluorothiane.
What is the SMILES notation for 4,4-difluorothiane?
The canonical SMILES for 4,4-difluorothiane is FC1(F)CCSCC1.
What is the InChIKey of 4,4-difluorothiane?
The InChIKey is AIWKQYJLMDWPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c6-5(7)1-3-8-4-2-5/h1-4H2.
What are the key properties of 4,4-difluorothiane?
4,4-difluorothiane has a molecular weight of 138.18 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorothiane is sourced from PubChem (CID 176888502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).