fluoromethyl phenyl sulfate

C7H7FO4S — CID 87154755

IUPACfluoromethyl phenyl sulfate
SMILESO=S(=O)(OCF)Oc1ccccc1
InChIInChI=1S/C7H7FO4S/c8-6-11-13(9,10)12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyDWVAIQHRPNQMLH-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.25
Rot. Bonds4

About fluoromethyl phenyl sulfate

fluoromethyl phenyl sulfate (PubChem CID 87154755) has the molecular formula C7H7FO4S and a molecular weight of 206.19 g/mol. Its IUPAC name is fluoromethyl phenyl sulfate.

Molecular Properties

Compound Namefluoromethyl phenyl sulfate
PubChem CID87154755
Molecular FormulaC7H7FO4S
Molecular Weight206.19 g/mol
Exact Mass206.00
IUPAC Namefluoromethyl phenyl sulfate
SMILESO=S(=O)(OCF)Oc1ccccc1
InChIInChI=1S/C7H7FO4S/c8-6-11-13(9,10)12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyDWVAIQHRPNQMLH-UHFFFAOYSA-N
XLogP1.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl phenyl sulfate?
The IUPAC name of fluoromethyl phenyl sulfate (CID 87154755) is fluoromethyl phenyl sulfate.
What is the SMILES notation for fluoromethyl phenyl sulfate?
The canonical SMILES for fluoromethyl phenyl sulfate is O=S(=O)(OCF)Oc1ccccc1.
What is the InChIKey of fluoromethyl phenyl sulfate?
The InChIKey is DWVAIQHRPNQMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4S/c8-6-11-13(9,10)12-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of fluoromethyl phenyl sulfate?
fluoromethyl phenyl sulfate has a molecular weight of 206.19 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl phenyl sulfate is sourced from PubChem (CID 87154755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).