5-chloro-2,2,3,3-tetrafluorothiolane

C4H3ClF4S — CID 23233770

IUPAC5-chloro-2,2,3,3-tetrafluorothiolane
SMILESFC1(F)CC(Cl)SC1(F)F
InChIInChI=1S/C4H3ClF4S/c5-2-1-3(6,7)4(8,9)10-2/h2H,1H2
InChIKeyZGQBMLXJAGVGPN-UHFFFAOYSA-N
MW194.58 g/mol
LogP2.92
Rot. Bonds

About 5-chloro-2,2,3,3-tetrafluorothiolane

5-chloro-2,2,3,3-tetrafluorothiolane (PubChem CID 23233770) has the molecular formula C4H3ClF4S and a molecular weight of 194.58 g/mol. Its IUPAC name is 5-chloro-2,2,3,3-tetrafluorothiolane.

Molecular Properties

Compound Name5-chloro-2,2,3,3-tetrafluorothiolane
PubChem CID23233770
Molecular FormulaC4H3ClF4S
Molecular Weight194.58 g/mol
Exact Mass193.96
IUPAC Name5-chloro-2,2,3,3-tetrafluorothiolane
SMILESFC1(F)CC(Cl)SC1(F)F
InChIInChI=1S/C4H3ClF4S/c5-2-1-3(6,7)4(8,9)10-2/h2H,1H2
InChIKeyZGQBMLXJAGVGPN-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.58
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-3,3-difluoro-6-methylbicyclo[3.1.0]hexane
CID 159654618
chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane
CID 159466515
1-chloro-1,2-difluorocyclopropane
CID 69232639
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
2,2,3-trifluorothiirane
CID 54324343
2-chlorothiirane
CID 11240430
2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane
CID 87128815
(1R)-1-fluoro-2-iodo-1-methylcyclopropane
CID 131968252
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine
CID 72943153
CID 173495629
CID 173495629
2,2,3-trichlorothiirane
CID 21444435
1,1-dichloro-2,2-difluorocyclopropane
CID 12637093

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,3,3-tetrafluorothiolane?
The IUPAC name of 5-chloro-2,2,3,3-tetrafluorothiolane (CID 23233770) is 5-chloro-2,2,3,3-tetrafluorothiolane.
What is the SMILES notation for 5-chloro-2,2,3,3-tetrafluorothiolane?
The canonical SMILES for 5-chloro-2,2,3,3-tetrafluorothiolane is FC1(F)CC(Cl)SC1(F)F.
What is the InChIKey of 5-chloro-2,2,3,3-tetrafluorothiolane?
The InChIKey is ZGQBMLXJAGVGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF4S/c5-2-1-3(6,7)4(8,9)10-2/h2H,1H2.
What are the key properties of 5-chloro-2,2,3,3-tetrafluorothiolane?
5-chloro-2,2,3,3-tetrafluorothiolane has a molecular weight of 194.58 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,3,3-tetrafluorothiolane is sourced from PubChem (CID 23233770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).