2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid

C15H20F2O2S — CID 61071336

IUPAC2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid
SMILESCc1cc(C(F)(F)CC2(CC(=O)O)CCCC2)c(C)s1
InChIInChI=1S/C15H20F2O2S/c1-10-7-12(11(2)20-10)15(16,17)9-14(8-13(18)19)5-3-4-6-14/h7H,3-6,8-9H2,1-2H3,(H,18,19)
InChIKeyQJXBEDMPODMZSC-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.88
Rot. Bonds5

About 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid

2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid (PubChem CID 61071336) has the molecular formula C15H20F2O2S and a molecular weight of 302.39 g/mol. Its IUPAC name is 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid
PubChem CID61071336
Molecular FormulaC15H20F2O2S
Molecular Weight302.39 g/mol
Exact Mass302.12
IUPAC Name2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid
SMILESCc1cc(C(F)(F)CC2(CC(=O)O)CCCC2)c(C)s1
InChIInChI=1S/C15H20F2O2S/c1-10-7-12(11(2)20-10)15(16,17)9-14(8-13(18)19)5-3-4-6-14/h7H,3-6,8-9H2,1-2H3,(H,18,19)
InChIKeyQJXBEDMPODMZSC-UHFFFAOYSA-N
XLogP4.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid 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-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid
CID 79736910
4-(2,5-dimethylthiophen-3-yl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 65297936
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
CID 102828905
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 102828999
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 80530829
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79992425
2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid
CID 10376489
2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 114818940
2-[1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43804803
2-[(2,5-dimethylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990159
2-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid
CID 51037570

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid (CID 61071336) is 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid is Cc1cc(C(F)(F)CC2(CC(=O)O)CCCC2)c(C)s1.
What is the InChIKey of 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid?
The InChIKey is QJXBEDMPODMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2S/c1-10-7-12(11(2)20-10)15(16,17)9-14(8-13(18)19)5-3-4-6-14/h7H,3-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid?
2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid has a molecular weight of 302.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).