1,3-difluoropropane-2-thione

C3H4F2S — CID 54235398

IUPAC1,3-difluoropropane-2-thione
SMILESFCC(=S)CF
InChIInChI=1S/C3H4F2S/c4-1-3(6)2-5/h1-2H2
InChIKeyQMFFEYRZQZVFGX-UHFFFAOYSA-N
MW110.13 g/mol
LogP1.30
Rot. Bonds2

About 1,3-difluoropropane-2-thione

1,3-difluoropropane-2-thione (PubChem CID 54235398) has the molecular formula C3H4F2S and a molecular weight of 110.13 g/mol. Its IUPAC name is 1,3-difluoropropane-2-thione.

Molecular Properties

Compound Name1,3-difluoropropane-2-thione
PubChem CID54235398
Molecular FormulaC3H4F2S
Molecular Weight110.13 g/mol
Exact Mass110.00
IUPAC Name1,3-difluoropropane-2-thione
SMILESFCC(=S)CF
InChIInChI=1S/C3H4F2S/c4-1-3(6)2-5/h1-2H2
InChIKeyQMFFEYRZQZVFGX-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoropropane-2-thione?
The IUPAC name of 1,3-difluoropropane-2-thione (CID 54235398) is 1,3-difluoropropane-2-thione.
What is the SMILES notation for 1,3-difluoropropane-2-thione?
The canonical SMILES for 1,3-difluoropropane-2-thione is FCC(=S)CF.
What is the InChIKey of 1,3-difluoropropane-2-thione?
The InChIKey is QMFFEYRZQZVFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2S/c4-1-3(6)2-5/h1-2H2.
What are the key properties of 1,3-difluoropropane-2-thione?
1,3-difluoropropane-2-thione has a molecular weight of 110.13 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropropane-2-thione is sourced from PubChem (CID 54235398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).