5,5-difluoropent-4-enyl methanesulfonate

C6H10F2O3S — CID 11446970

IUPAC5,5-difluoropent-4-enyl methanesulfonate
SMILESCS(=O)(=O)OCCCC=C(F)F
InChIInChI=1S/C6H10F2O3S/c1-12(9,10)11-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3
InChIKeyFDNPFDIWBBZFOZ-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.52
Rot. Bonds5

About 5,5-difluoropent-4-enyl methanesulfonate

5,5-difluoropent-4-enyl methanesulfonate (PubChem CID 11446970) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is 5,5-difluoropent-4-enyl methanesulfonate.

Molecular Properties

Compound Name5,5-difluoropent-4-enyl methanesulfonate
PubChem CID11446970
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name5,5-difluoropent-4-enyl methanesulfonate
SMILESCS(=O)(=O)OCCCC=C(F)F
InChIInChI=1S/C6H10F2O3S/c1-12(9,10)11-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3
InChIKeyFDNPFDIWBBZFOZ-UHFFFAOYSA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropent-4-enyl methanesulfonate?
The IUPAC name of 5,5-difluoropent-4-enyl methanesulfonate (CID 11446970) is 5,5-difluoropent-4-enyl methanesulfonate.
What is the SMILES notation for 5,5-difluoropent-4-enyl methanesulfonate?
The canonical SMILES for 5,5-difluoropent-4-enyl methanesulfonate is CS(=O)(=O)OCCCC=C(F)F.
What is the InChIKey of 5,5-difluoropent-4-enyl methanesulfonate?
The InChIKey is FDNPFDIWBBZFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c1-12(9,10)11-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3.
What are the key properties of 5,5-difluoropent-4-enyl methanesulfonate?
5,5-difluoropent-4-enyl methanesulfonate has a molecular weight of 200.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropent-4-enyl methanesulfonate is sourced from PubChem (CID 11446970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).