2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane

C6H8F4OS — CID 59817081

IUPAC2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane
SMILESFC(F)C(F)(F)COCC1CS1
InChIInChI=1S/C6H8F4OS/c7-5(8)6(9,10)3-11-1-4-2-12-4/h4-5H,1-3H2
InChIKeyLLYJITONBIWXLP-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.02
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane

2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane (PubChem CID 59817081) has the molecular formula C6H8F4OS and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane
PubChem CID59817081
Molecular FormulaC6H8F4OS
Molecular Weight204.19 g/mol
Exact Mass204.02
IUPAC Name2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane
SMILESFC(F)C(F)(F)COCC1CS1
InChIInChI=1S/C6H8F4OS/c7-5(8)6(9,10)3-11-1-4-2-12-4/h4-5H,1-3H2
InChIKeyLLYJITONBIWXLP-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane (CID 59817081) is 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane is FC(F)C(F)(F)COCC1CS1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane?
The InChIKey is LLYJITONBIWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4OS/c7-5(8)6(9,10)3-11-1-4-2-12-4/h4-5H,1-3H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane?
2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane has a molecular weight of 204.19 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)thiirane is sourced from PubChem (CID 59817081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).