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

C11H16F2OS — CID 131204231

IUPAC2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
SMILESO=C(CC1CCCC1(F)F)C1CCSC1
InChIInChI=1S/C11H16F2OS/c12-11(13)4-1-2-9(11)6-10(14)8-3-5-15-7-8/h8-9H,1-7H2
InChIKeyIRNRURJVDFLQOZ-UHFFFAOYSA-N
MW234.31 g/mol
LogP3.13
Rot. Bonds3

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

2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone (PubChem CID 131204231) has the molecular formula C11H16F2OS and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
PubChem CID131204231
Molecular FormulaC11H16F2OS
Molecular Weight234.31 g/mol
Exact Mass234.09
IUPAC Name2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
SMILESO=C(CC1CCCC1(F)F)C1CCSC1
InChIInChI=1S/C11H16F2OS/c12-11(13)4-1-2-9(11)6-10(14)8-3-5-15-7-8/h8-9H,1-7H2
InChIKeyIRNRURJVDFLQOZ-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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Related Compounds

2-(5,5-difluorothiepan-4-yl)acetic acid
CID 84781199
3-amino-1-(thiolan-3-yl)propan-1-one
CID 82652170
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677
2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 164660138
(3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone
CID 130744138
2-amino-4-oxo-4-(thiolan-3-yl)butanoic acid
CID 105455491
N-[(2,2-difluorocyclopentyl)methyl]formamide
CID 130921420
2-(2,6-difluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105135754
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
1-(thiolan-3-yl)hex-5-en-1-one
CID 105104192
1-[(thiolane-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115432922
2-(5-chloro-2-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 103052592

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone?
The IUPAC name of 2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone (CID 131204231) is 2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone.
What is the SMILES notation for 2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone?
The canonical SMILES for 2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone is O=C(CC1CCCC1(F)F)C1CCSC1.
What is the InChIKey of 2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone?
The InChIKey is IRNRURJVDFLQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2OS/c12-11(13)4-1-2-9(11)6-10(14)8-3-5-15-7-8/h8-9H,1-7H2.
What are the key properties of 2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone?
2-(2,2-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-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone is sourced from PubChem (CID 131204231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).