(3-fluorocyclohexyl) methyl sulfite

C7H13FO3S — CID 87155277

IUPAC(3-fluorocyclohexyl) methyl sulfite
SMILESCOS(=O)OC1CCCC(F)C1
InChIInChI=1S/C7H13FO3S/c1-10-12(9)11-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3
InChIKeyVJDJAHPDPDUARF-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.51
Rot. Bonds3

About (3-fluorocyclohexyl) methyl sulfite

(3-fluorocyclohexyl) methyl sulfite (PubChem CID 87155277) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is (3-fluorocyclohexyl) methyl sulfite.

Molecular Properties

Compound Name(3-fluorocyclohexyl) methyl sulfite
PubChem CID87155277
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name(3-fluorocyclohexyl) methyl sulfite
SMILESCOS(=O)OC1CCCC(F)C1
InChIInChI=1S/C7H13FO3S/c1-10-12(9)11-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3
InChIKeyVJDJAHPDPDUARF-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexyl) methyl sulfite?
The IUPAC name of (3-fluorocyclohexyl) methyl sulfite (CID 87155277) is (3-fluorocyclohexyl) methyl sulfite.
What is the SMILES notation for (3-fluorocyclohexyl) methyl sulfite?
The canonical SMILES for (3-fluorocyclohexyl) methyl sulfite is COS(=O)OC1CCCC(F)C1.
What is the InChIKey of (3-fluorocyclohexyl) methyl sulfite?
The InChIKey is VJDJAHPDPDUARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-10-12(9)11-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3.
What are the key properties of (3-fluorocyclohexyl) methyl sulfite?
(3-fluorocyclohexyl) methyl sulfite has a molecular weight of 196.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexyl) methyl sulfite is sourced from PubChem (CID 87155277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).