2-(2-fluorophenyl)sulfinylcyclohexan-1-ol

C12H15FO2S — CID 64717103

IUPAC2-(2-fluorophenyl)sulfinylcyclohexan-1-ol
SMILESO=S(c1ccccc1F)C1CCCCC1O
InChIInChI=1S/C12H15FO2S/c13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)14/h1,3,5,7,10,12,14H,2,4,6,8H2
InChIKeyZIMUHCLYCMEGHM-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.24
Rot. Bonds2

About 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol

2-(2-fluorophenyl)sulfinylcyclohexan-1-ol (PubChem CID 64717103) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinylcyclohexan-1-ol
PubChem CID64717103
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name2-(2-fluorophenyl)sulfinylcyclohexan-1-ol
SMILESO=S(c1ccccc1F)C1CCCCC1O
InChIInChI=1S/C12H15FO2S/c13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)14/h1,3,5,7,10,12,14H,2,4,6,8H2
InChIKeyZIMUHCLYCMEGHM-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol?
The IUPAC name of 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol (CID 64717103) is 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol?
The canonical SMILES for 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol is O=S(c1ccccc1F)C1CCCCC1O.
What is the InChIKey of 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol?
The InChIKey is ZIMUHCLYCMEGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)14/h1,3,5,7,10,12,14H,2,4,6,8H2.
What are the key properties of 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol?
2-(2-fluorophenyl)sulfinylcyclohexan-1-ol has a molecular weight of 242.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinylcyclohexan-1-ol is sourced from PubChem (CID 64717103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).