difluoromethyl ethyl sulfate

C3H6F2O4S — CID 87155636

IUPACdifluoromethyl ethyl sulfate
SMILESCCOS(=O)(=O)OC(F)F
InChIInChI=1S/C3H6F2O4S/c1-2-8-10(6,7)9-3(4)5/h3H,2H2,1H3
InChIKeyVHYQSFDXWQRPJW-UHFFFAOYSA-N
MW176.14 g/mol
LogP0.51
Rot. Bonds4

About difluoromethyl ethyl sulfate

difluoromethyl ethyl sulfate (PubChem CID 87155636) has the molecular formula C3H6F2O4S and a molecular weight of 176.14 g/mol. Its IUPAC name is difluoromethyl ethyl sulfate.

Molecular Properties

Compound Namedifluoromethyl ethyl sulfate
PubChem CID87155636
Molecular FormulaC3H6F2O4S
Molecular Weight176.14 g/mol
Exact Mass176.00
IUPAC Namedifluoromethyl ethyl sulfate
SMILESCCOS(=O)(=O)OC(F)F
InChIInChI=1S/C3H6F2O4S/c1-2-8-10(6,7)9-3(4)5/h3H,2H2,1H3
InChIKeyVHYQSFDXWQRPJW-UHFFFAOYSA-N
XLogP0.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of difluoromethyl ethyl sulfate?
The IUPAC name of difluoromethyl ethyl sulfate (CID 87155636) is difluoromethyl ethyl sulfate.
What is the SMILES notation for difluoromethyl ethyl sulfate?
The canonical SMILES for difluoromethyl ethyl sulfate is CCOS(=O)(=O)OC(F)F.
What is the InChIKey of difluoromethyl ethyl sulfate?
The InChIKey is VHYQSFDXWQRPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O4S/c1-2-8-10(6,7)9-3(4)5/h3H,2H2,1H3.
What are the key properties of difluoromethyl ethyl sulfate?
difluoromethyl ethyl sulfate has a molecular weight of 176.14 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl ethyl sulfate is sourced from PubChem (CID 87155636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).