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

C11H12F2OS — CID 130487424

IUPAC2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone
SMILESO=C(CC1CCC(F)(F)C1)c1ccsc1
InChIInChI=1S/C11H12F2OS/c12-11(13)3-1-8(6-11)5-10(14)9-2-4-15-7-9/h2,4,7-8H,1,3,5-6H2
InChIKeyDRJDPSLBIJIKBS-UHFFFAOYSA-N
MW230.28 g/mol
LogP3.76
Rot. Bonds3

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

2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone (PubChem CID 130487424) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone
PubChem CID130487424
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone
SMILESO=C(CC1CCC(F)(F)C1)c1ccsc1
InChIInChI=1S/C11H12F2OS/c12-11(13)3-1-8(6-11)5-10(14)9-2-4-15-7-9/h2,4,7-8H,1,3,5-6H2
InChIKeyDRJDPSLBIJIKBS-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

Analyze 2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone
CID 130487423
2-(azetidin-3-yl)-1-thiophen-3-ylethanone
CID 116582227
1-(3-amino-4-methylphenyl)-2-(3,3-difluorocyclopentyl)ethanone
CID 114225537
2-piperidin-3-yl-1-thiophen-3-ylethanone
CID 116564139
1-(3-bromophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114224567
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
1-(4-amino-3-fluorophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114225535
1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone
CID 114224631
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
CID 103558841
2-(1-aminocyclopentyl)-1-thiophen-3-ylethanone
CID 116578647

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone (CID 130487424) is 2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone is O=C(CC1CCC(F)(F)C1)c1ccsc1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone?
The InChIKey is DRJDPSLBIJIKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2OS/c12-11(13)3-1-8(6-11)5-10(14)9-2-4-15-7-9/h2,4,7-8H,1,3,5-6H2.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone?
2-(3,3-difluorocyclopentyl)-1-thiophen-3-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-3-ylethanone is sourced from PubChem (CID 130487424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).