fluoromethyl prop-2-enyl sulfate

C4H7FO4S — CID 174453503

IUPACfluoromethyl prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OCF
InChIInChI=1S/C4H7FO4S/c1-2-3-8-10(6,7)9-4-5/h2H,1,3-4H2
InChIKeyCBYNRKSFCYOAMH-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.38
Rot. Bonds5

About fluoromethyl prop-2-enyl sulfate

fluoromethyl prop-2-enyl sulfate (PubChem CID 174453503) has the molecular formula C4H7FO4S and a molecular weight of 170.16 g/mol. Its IUPAC name is fluoromethyl prop-2-enyl sulfate.

Molecular Properties

Compound Namefluoromethyl prop-2-enyl sulfate
PubChem CID174453503
Molecular FormulaC4H7FO4S
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Namefluoromethyl prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OCF
InChIInChI=1S/C4H7FO4S/c1-2-3-8-10(6,7)9-4-5/h2H,1,3-4H2
InChIKeyCBYNRKSFCYOAMH-UHFFFAOYSA-N
XLogP0.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl prop-2-enyl sulfate?
The IUPAC name of fluoromethyl prop-2-enyl sulfate (CID 174453503) is fluoromethyl prop-2-enyl sulfate.
What is the SMILES notation for fluoromethyl prop-2-enyl sulfate?
The canonical SMILES for fluoromethyl prop-2-enyl sulfate is C=CCOS(=O)(=O)OCF.
What is the InChIKey of fluoromethyl prop-2-enyl sulfate?
The InChIKey is CBYNRKSFCYOAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S/c1-2-3-8-10(6,7)9-4-5/h2H,1,3-4H2.
What are the key properties of fluoromethyl prop-2-enyl sulfate?
fluoromethyl prop-2-enyl sulfate has a molecular weight of 170.16 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl prop-2-enyl sulfate is sourced from PubChem (CID 174453503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).