2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone

C11H12F2OS — CID 130487423

IUPAC2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone
SMILESO=C(CC1CCC(F)(F)C1)c1cccs1
InChIInChI=1S/C11H12F2OS/c12-11(13)4-3-8(7-11)6-9(14)10-2-1-5-15-10/h1-2,5,8H,3-4,6-7H2
InChIKeyQJNCFIQTAHSFKY-UHFFFAOYSA-N
MW230.28 g/mol
LogP3.76
Rot. Bonds3

About 2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone

2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone (PubChem CID 130487423) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone
PubChem CID130487423
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone
SMILESO=C(CC1CCC(F)(F)C1)c1cccs1
InChIInChI=1S/C11H12F2OS/c12-11(13)4-3-8(7-11)6-9(14)10-2-1-5-15-10/h1-2,5,8H,3-4,6-7H2
InChIKeyQJNCFIQTAHSFKY-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone
CID 130487424
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
1-(3-amino-4-methylphenyl)-2-(3,3-difluorocyclopentyl)ethanone
CID 114225537
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone
CID 114225576
1-(4-bromo-2-methylphenyl)-2-(3,3-difluorocyclopentyl)ethanone
CID 114224654
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530
2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
CID 2341406
(2S)-2-(2-oxo-2-thiophen-2-ylethyl)-1-oxaspiro[5.5]undeca-7,10-dien-9-one
CID 132606431
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
1-(3-bromophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114224567
2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone
CID 71650113
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-thiophen-2-ylethanone
CID 66419552

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone (CID 130487423) is 2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone is O=C(CC1CCC(F)(F)C1)c1cccs1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone?
The InChIKey is QJNCFIQTAHSFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2OS/c12-11(13)4-3-8(7-11)6-9(14)10-2-1-5-15-10/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone?
2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone has a molecular weight of 230.28 g/mol, XLogP of 3.76, 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-thiophen-2-ylethanone is sourced from PubChem (CID 130487423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).