2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid

C10H12F4O4 — CID 155383252

IUPAC2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
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)
InChIKeyIESNHHNDXJHEMW-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.22
Rot. Bonds4

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

2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid (PubChem CID 155383252) has the molecular formula C10H12F4O4 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
PubChem CID155383252
Molecular FormulaC10H12F4O4
Molecular Weight272.19 g/mol
Exact Mass272.07
IUPAC Name2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
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)
InChIKeyIESNHHNDXJHEMW-UHFFFAOYSA-N
XLogP2.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid (CID 155383252) is 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid 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-oxobutanoic acid?
The InChIKey is IESNHHNDXJHEMW-UHFFFAOYSA-N. 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).
What are the key properties of 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid?
2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid has a molecular weight of 272.19 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid is sourced from PubChem (CID 155383252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).