2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone

C13H14F2O2S — CID 64640573

IUPAC2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone
SMILESO=C(CS(=O)C1CCCC1)c1c(F)cccc1F
InChIInChI=1S/C13H14F2O2S/c14-10-6-3-7-11(15)13(10)12(16)8-18(17)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyDIWMQVNBHFRTSM-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone

2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone (PubChem CID 64640573) has the molecular formula C13H14F2O2S and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone
PubChem CID64640573
Molecular FormulaC13H14F2O2S
Molecular Weight272.32 g/mol
Exact Mass272.07
IUPAC Name2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone
SMILESO=C(CS(=O)C1CCCC1)c1c(F)cccc1F
InChIInChI=1S/C13H14F2O2S/c14-10-6-3-7-11(15)13(10)12(16)8-18(17)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyDIWMQVNBHFRTSM-UHFFFAOYSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone (CID 64640573) is 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone is O=C(CS(=O)C1CCCC1)c1c(F)cccc1F.
What is the InChIKey of 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone?
The InChIKey is DIWMQVNBHFRTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2S/c14-10-6-3-7-11(15)13(10)12(16)8-18(17)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2.
What are the key properties of 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone?
2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone has a molecular weight of 272.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 64640573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).