(3-fluorocyclohexyl) benzenesulfinate

C12H15FO2S — CID 68780735

IUPAC(3-fluorocyclohexyl) benzenesulfinate
SMILESO=S(OC1CCCC(F)C1)c1ccccc1
InChIInChI=1S/C12H15FO2S/c13-10-5-4-6-11(9-10)15-16(14)12-7-2-1-3-8-12/h1-3,7-8,10-11H,4-6,9H2
InChIKeyFKEWAMRJAPRWCK-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.01
Rot. Bonds3

About (3-fluorocyclohexyl) benzenesulfinate

(3-fluorocyclohexyl) benzenesulfinate (PubChem CID 68780735) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is (3-fluorocyclohexyl) benzenesulfinate.

Molecular Properties

Compound Name(3-fluorocyclohexyl) benzenesulfinate
PubChem CID68780735
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name(3-fluorocyclohexyl) benzenesulfinate
SMILESO=S(OC1CCCC(F)C1)c1ccccc1
InChIInChI=1S/C12H15FO2S/c13-10-5-4-6-11(9-10)15-16(14)12-7-2-1-3-8-12/h1-3,7-8,10-11H,4-6,9H2
InChIKeyFKEWAMRJAPRWCK-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexyl) benzenesulfinate?
The IUPAC name of (3-fluorocyclohexyl) benzenesulfinate (CID 68780735) is (3-fluorocyclohexyl) benzenesulfinate.
What is the SMILES notation for (3-fluorocyclohexyl) benzenesulfinate?
The canonical SMILES for (3-fluorocyclohexyl) benzenesulfinate is O=S(OC1CCCC(F)C1)c1ccccc1.
What is the InChIKey of (3-fluorocyclohexyl) benzenesulfinate?
The InChIKey is FKEWAMRJAPRWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c13-10-5-4-6-11(9-10)15-16(14)12-7-2-1-3-8-12/h1-3,7-8,10-11H,4-6,9H2.
What are the key properties of (3-fluorocyclohexyl) benzenesulfinate?
(3-fluorocyclohexyl) benzenesulfinate has a molecular weight of 242.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexyl) benzenesulfinate is sourced from PubChem (CID 68780735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).