2-fluoroethyl propyl sulfate

C5H11FO4S — CID 166171774

IUPAC2-fluoroethyl propyl sulfate
SMILESCCCOS(=O)(=O)OCCF
InChIInChI=1S/C5H11FO4S/c1-2-4-9-11(7,8)10-5-3-6/h2-5H2,1H3
InChIKeyVPDAYXVGQYVURZ-UHFFFAOYSA-N
MW186.20 g/mol
LogP0.64
Rot. Bonds6

About 2-fluoroethyl propyl sulfate

2-fluoroethyl propyl sulfate (PubChem CID 166171774) has the molecular formula C5H11FO4S and a molecular weight of 186.20 g/mol. Its IUPAC name is 2-fluoroethyl propyl sulfate.

Molecular Properties

Compound Name2-fluoroethyl propyl sulfate
PubChem CID166171774
Molecular FormulaC5H11FO4S
Molecular Weight186.20 g/mol
Exact Mass186.04
IUPAC Name2-fluoroethyl propyl sulfate
SMILESCCCOS(=O)(=O)OCCF
InChIInChI=1S/C5H11FO4S/c1-2-4-9-11(7,8)10-5-3-6/h2-5H2,1H3
InChIKeyVPDAYXVGQYVURZ-UHFFFAOYSA-N
XLogP0.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl propyl sulfate;hydrochloride
CID 175489043
propoxysulfonyloxysulfonyl ethanesulfonate
CID 150088008
propyl 2-aminoethanesulfonate
CID 54028272
2-fluoroethyl trifluoromethyl sulfate
CID 166171758
dimethylamino propyl sulfate
CID 165093192
pentan-3-yl propyl sulfate
CID 174914441
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
ethanamine;propyl methanesulfonate
CID 91463182
1-ethoxysulfonylsulfonyloxypropane
CID 90767531
magnesium dihexyl sulfate
CID 21125103
butyl hexadecyl sulfate
CID 174632644

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl propyl sulfate?
The IUPAC name of 2-fluoroethyl propyl sulfate (CID 166171774) is 2-fluoroethyl propyl sulfate.
What is the SMILES notation for 2-fluoroethyl propyl sulfate?
The canonical SMILES for 2-fluoroethyl propyl sulfate is CCCOS(=O)(=O)OCCF.
What is the InChIKey of 2-fluoroethyl propyl sulfate?
The InChIKey is VPDAYXVGQYVURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO4S/c1-2-4-9-11(7,8)10-5-3-6/h2-5H2,1H3.
What are the key properties of 2-fluoroethyl propyl sulfate?
2-fluoroethyl propyl sulfate has a molecular weight of 186.20 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl propyl sulfate is sourced from PubChem (CID 166171774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).