2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate

C11H15F2O4- — CID 155650708

IUPAC2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate
SMILESCC1(OC(=O)CCC(F)(F)C(=O)[O-])CCCC1
InChIInChI=1S/C11H16F2O4/c1-10(5-2-3-6-10)17-8(14)4-7-11(12,13)9(15)16/h2-7H2,1H3,(H,15,16)/p-1
InChIKeyVYYBIRUYEZZNDD-UHFFFAOYSA-M
MW249.23 g/mol
LogP1.03
Rot. Bonds5

About 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate

2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate (PubChem CID 155650708) has the molecular formula C11H15F2O4- and a molecular weight of 249.23 g/mol. Its IUPAC name is 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate.

Molecular Properties

Compound Name2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate
PubChem CID155650708
Molecular FormulaC11H15F2O4-
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate
SMILESCC1(OC(=O)CCC(F)(F)C(=O)[O-])CCCC1
InChIInChI=1S/C11H16F2O4/c1-10(5-2-3-6-10)17-8(14)4-7-11(12,13)9(15)16/h2-7H2,1H3,(H,15,16)/p-1
InChIKeyVYYBIRUYEZZNDD-UHFFFAOYSA-M
XLogP1.03
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate 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

1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate
CID 177097528
(1-methylcyclohexyl) 3-iodopropanoate
CID 134285867
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705
[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 130305178
3-[3-(1-methylcyclopentyl)oxy-3-oxopropyl]sulfanylpropanoic acid
CID 69279413
[3-(1-methylcyclohexyl)oxy-3-oxopropyl] 2-methylpropanoate
CID 147929814
tris(1-methylcyclohexyl) 2-hydroxypropane-1,2,3-tricarboxylate
CID 154107750
(1-methylcyclopentyl) 2-iodo-2-(trifluoromethyl)pentanoate
CID 162555204
[3-(1-methylcyclohexyl)oxy-3-oxopropyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 70888829
bis(1-methylcyclohexyl) oxalate
CID 154101354
[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate
CID 58100469
(1-methylcyclohexyl) 2,3,3-trimethyl-2-(trifluoromethyl)butanoate
CID 154539206

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate?
The IUPAC name of 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate (CID 155650708) is 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate.
What is the SMILES notation for 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate?
The canonical SMILES for 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate is CC1(OC(=O)CCC(F)(F)C(=O)[O-])CCCC1.
What is the InChIKey of 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate?
The InChIKey is VYYBIRUYEZZNDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16F2O4/c1-10(5-2-3-6-10)17-8(14)4-7-11(12,13)9(15)16/h2-7H2,1H3,(H,15,16)/p-1.
What are the key properties of 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate?
2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate has a molecular weight of 249.23 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate is sourced from PubChem (CID 155650708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).