2,2-difluoroethanethiol

C2H4F2S — CID 18934465

IUPAC2,2-difluoroethanethiol
SMILESFC(F)CS
InChIInChI=1S/C2H4F2S/c3-2(4)1-5/h2,5H,1H2
InChIKeyIPTRDMXWNOXEOK-UHFFFAOYSA-N
MW98.12 g/mol
LogP1.18
Rot. Bonds1

About 2,2-difluoroethanethiol

2,2-difluoroethanethiol (PubChem CID 18934465) has the molecular formula C2H4F2S and a molecular weight of 98.12 g/mol. Its IUPAC name is 2,2-difluoroethanethiol.

Molecular Properties

Compound Name2,2-difluoroethanethiol
PubChem CID18934465
Molecular FormulaC2H4F2S
Molecular Weight98.12 g/mol
Exact Mass98.00
IUPAC Name2,2-difluoroethanethiol
SMILESFC(F)CS
InChIInChI=1S/C2H4F2S/c3-2(4)1-5/h2,5H,1H2
InChIKeyIPTRDMXWNOXEOK-UHFFFAOYSA-N
XLogP1.18
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethanethiol?
The IUPAC name of 2,2-difluoroethanethiol (CID 18934465) is 2,2-difluoroethanethiol.
What is the SMILES notation for 2,2-difluoroethanethiol?
The canonical SMILES for 2,2-difluoroethanethiol is FC(F)CS.
What is the InChIKey of 2,2-difluoroethanethiol?
The InChIKey is IPTRDMXWNOXEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2S/c3-2(4)1-5/h2,5H,1H2.
What are the key properties of 2,2-difluoroethanethiol?
2,2-difluoroethanethiol has a molecular weight of 98.12 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanethiol is sourced from PubChem (CID 18934465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).