2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone

C11H16F2OS — CID 130487702

IUPAC2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
SMILESO=C(CC1CCC(F)(F)C1)C1CCSC1
InChIInChI=1S/C11H16F2OS/c12-11(13)3-1-8(6-11)5-10(14)9-2-4-15-7-9/h8-9H,1-7H2
InChIKeyZAYPYJVHULLANB-UHFFFAOYSA-N
MW234.31 g/mol
LogP3.13
Rot. Bonds3

About 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone

2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone (PubChem CID 130487702) has the molecular formula C11H16F2OS and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
PubChem CID130487702
Molecular FormulaC11H16F2OS
Molecular Weight234.31 g/mol
Exact Mass234.09
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
SMILESO=C(CC1CCC(F)(F)C1)C1CCSC1
InChIInChI=1S/C11H16F2OS/c12-11(13)3-1-8(6-11)5-10(14)9-2-4-15-7-9/h8-9H,1-7H2
InChIKeyZAYPYJVHULLANB-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone (CID 130487702) is 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone is O=C(CC1CCC(F)(F)C1)C1CCSC1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone?
The InChIKey is ZAYPYJVHULLANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2OS/c12-11(13)3-1-8(6-11)5-10(14)9-2-4-15-7-9/h8-9H,1-7H2.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone?
2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone has a molecular weight of 234.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone is sourced from PubChem (CID 130487702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).