2-fluoroethanethioyl fluoride

C2H2F2S — CID 57234989

IUPAC2-fluoroethanethioyl fluoride
SMILESFCC(F)=S
InChIInChI=1S/C2H2F2S/c3-1-2(4)5/h1H2
InChIKeyHSTVBFFVUHHNJL-UHFFFAOYSA-N
MW96.10 g/mol
LogP1.25
Rot. Bonds1

About 2-fluoroethanethioyl fluoride

2-fluoroethanethioyl fluoride (PubChem CID 57234989) has the molecular formula C2H2F2S and a molecular weight of 96.10 g/mol. Its IUPAC name is 2-fluoroethanethioyl fluoride.

Molecular Properties

Compound Name2-fluoroethanethioyl fluoride
PubChem CID57234989
Molecular FormulaC2H2F2S
Molecular Weight96.10 g/mol
Exact Mass95.98
IUPAC Name2-fluoroethanethioyl fluoride
SMILESFCC(F)=S
InChIInChI=1S/C2H2F2S/c3-1-2(4)5/h1H2
InChIKeyHSTVBFFVUHHNJL-UHFFFAOYSA-N
XLogP1.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.10
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoroethanethioyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodoethanethioyl fluoride
CID 57323560
1,1,2,3-tetrafluoroprop-1-ene
CID 11855995
CID 75412072
CID 75412072
(E)-1,3-difluoro-2-methylbut-2-ene
CID 58952813
(2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene
CID 172572003
hypofluorous acid;sulfanylidenevanadium
CID 20663348
CID 75412071
CID 75412071
carbonic acid;2,3-difluoroprop-1-ene
CID 135262079
N-(3,4-difluorophenyl)-2-fluoroethanethioamide
CID 118863906
2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol
CID 123220067
[(2-fluoroethanethioyl)amino] N-[[(2-fluoroethanethioyl)amino]oxycarbonyl-methylamino]sulfanyl-N-methylcarbamate
CID 88738653
2-fluoroacetic acid;hydrochloride
CID 87782456

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethanethioyl fluoride?
The IUPAC name of 2-fluoroethanethioyl fluoride (CID 57234989) is 2-fluoroethanethioyl fluoride.
What is the SMILES notation for 2-fluoroethanethioyl fluoride?
The canonical SMILES for 2-fluoroethanethioyl fluoride is FCC(F)=S.
What is the InChIKey of 2-fluoroethanethioyl fluoride?
The InChIKey is HSTVBFFVUHHNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2S/c3-1-2(4)5/h1H2.
What are the key properties of 2-fluoroethanethioyl fluoride?
2-fluoroethanethioyl fluoride has a molecular weight of 96.10 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethanethioyl fluoride is sourced from PubChem (CID 57234989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).