2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone

C14H17FOS — CID 2372902

IUPAC2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone
SMILESO=C(CSC1CCCCC1)c1ccccc1F
InChIInChI=1S/C14H17FOS/c15-13-9-5-4-8-12(13)14(16)10-17-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyPRKDCODKDREVFD-UHFFFAOYSA-N
MW252.35 g/mol
LogP4.07
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone

2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone (PubChem CID 2372902) has the molecular formula C14H17FOS and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone
PubChem CID2372902
Molecular FormulaC14H17FOS
Molecular Weight252.35 g/mol
Exact Mass252.10
IUPAC Name2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone
SMILESO=C(CSC1CCCCC1)c1ccccc1F
InChIInChI=1S/C14H17FOS/c15-13-9-5-4-8-12(13)14(16)10-17-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyPRKDCODKDREVFD-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone (CID 2372902) is 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone is O=C(CSC1CCCCC1)c1ccccc1F.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone?
The InChIKey is PRKDCODKDREVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FOS/c15-13-9-5-4-8-12(13)14(16)10-17-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone?
2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone has a molecular weight of 252.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 2372902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).