2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate

C10H11F4O4- — CID 177084903

IUPAC2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate
SMILESCC1(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])CCCC1
InChIInChI=1S/C10H12F4O4/c1-8(4-2-3-5-8)18-7(17)10(13,14)9(11,12)6(15)16/h2-5H2,1H3,(H,15,16)/p-1
InChIKeyIESNHHNDXJHEMW-UHFFFAOYSA-M
MW271.19 g/mol
LogP0.88
Rot. Bonds4

About 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate

2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate (PubChem CID 177084903) has the molecular formula C10H11F4O4- and a molecular weight of 271.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate
PubChem CID177084903
Molecular FormulaC10H11F4O4-
Molecular Weight271.19 g/mol
Exact Mass271.06
IUPAC Name2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate
SMILESCC1(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])CCCC1
InChIInChI=1S/C10H12F4O4/c1-8(4-2-3-5-8)18-7(17)10(13,14)9(11,12)6(15)16/h2-5H2,1H3,(H,15,16)/p-1
InChIKeyIESNHHNDXJHEMW-UHFFFAOYSA-M
XLogP0.88
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate 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

Ditert-butyl 2,3-bis(2,2-difluoroethyl)butanedioate
CID 138972795
Ditert-butyl 2,3-bis(2,2,2-trifluoroethyl)butanedioate
CID 138973600
1-O-cyclopentyl 4-O-(1-methylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372419
Bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372449
1-O-(1-methylcyclobutyl) 4-O-(1-methylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372453
4-(1-Ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 155383250
2,2,3,3-Tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
CID 155383252
(1-Ethylcyclopentyl) 2,2,3,3,4,4-hexafluoropentanoate
CID 157685515
[1-(Trifluoromethyl)cyclopentyl] butanoate
CID 164086557
1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate
CID 174588984
4-(1-Ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate
CID 177084900
[1-(Trifluoromethyl)cyclopentyl] propanoate
CID 153926754

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate?
The IUPAC name of 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate (CID 177084903) is 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate is CC1(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])CCCC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate?
The InChIKey is IESNHHNDXJHEMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12F4O4/c1-8(4-2-3-5-8)18-7(17)10(13,14)9(11,12)6(15)16/h2-5H2,1H3,(H,15,16)/p-1.
What are the key properties of 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate?
2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate has a molecular weight of 271.19 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate is sourced from PubChem (CID 177084903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).