(3-fluorocyclohexyl) methyl sulfate

C7H13FO4S — CID 87155025

IUPAC(3-fluorocyclohexyl) methyl sulfate
SMILESCOS(=O)(=O)OC1CCCC(F)C1
InChIInChI=1S/C7H13FO4S/c1-11-13(9,10)12-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3
InChIKeyMHEVTWUYFRDGDP-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.17
Rot. Bonds3

About (3-fluorocyclohexyl) methyl sulfate

(3-fluorocyclohexyl) methyl sulfate (PubChem CID 87155025) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is (3-fluorocyclohexyl) methyl sulfate.

Molecular Properties

Compound Name(3-fluorocyclohexyl) methyl sulfate
PubChem CID87155025
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name(3-fluorocyclohexyl) methyl sulfate
SMILESCOS(=O)(=O)OC1CCCC(F)C1
InChIInChI=1S/C7H13FO4S/c1-11-13(9,10)12-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3
InChIKeyMHEVTWUYFRDGDP-UHFFFAOYSA-N
XLogP1.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexyl) methyl sulfate?
The IUPAC name of (3-fluorocyclohexyl) methyl sulfate (CID 87155025) is (3-fluorocyclohexyl) methyl sulfate.
What is the SMILES notation for (3-fluorocyclohexyl) methyl sulfate?
The canonical SMILES for (3-fluorocyclohexyl) methyl sulfate is COS(=O)(=O)OC1CCCC(F)C1.
What is the InChIKey of (3-fluorocyclohexyl) methyl sulfate?
The InChIKey is MHEVTWUYFRDGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-11-13(9,10)12-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3.
What are the key properties of (3-fluorocyclohexyl) methyl sulfate?
(3-fluorocyclohexyl) methyl sulfate has a molecular weight of 212.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexyl) methyl sulfate is sourced from PubChem (CID 87155025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).