2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one

C17H23FO2S — CID 15046033

IUPAC2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one
SMILESCCCC(F)(C(=O)C1CCCCC1)S(=O)c1ccccc1
InChIInChI=1S/C17H23FO2S/c1-2-13-17(18,16(19)14-9-5-3-6-10-14)21(20)15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3
InChIKeyUWRPFGQWVRWFHB-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.41
Rot. Bonds6

About 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one

2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one (PubChem CID 15046033) has the molecular formula C17H23FO2S and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one
PubChem CID15046033
Molecular FormulaC17H23FO2S
Molecular Weight310.43 g/mol
Exact Mass310.14
IUPAC Name2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one
SMILESCCCC(F)(C(=O)C1CCCCC1)S(=O)c1ccccc1
InChIInChI=1S/C17H23FO2S/c1-2-13-17(18,16(19)14-9-5-3-6-10-14)21(20)15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3
InChIKeyUWRPFGQWVRWFHB-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one?
The IUPAC name of 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one (CID 15046033) is 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one.
What is the SMILES notation for 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one?
The canonical SMILES for 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one is CCCC(F)(C(=O)C1CCCCC1)S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one?
The InChIKey is UWRPFGQWVRWFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2S/c1-2-13-17(18,16(19)14-9-5-3-6-10-14)21(20)15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3.
What are the key properties of 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one?
2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one has a molecular weight of 310.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-cyclohexyl-2-fluoropentan-1-one is sourced from PubChem (CID 15046033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).