ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate

C8H12F2O3 — CID 146444920

IUPACethyl 4,4-difluoro-2-methyloxolane-2-carboxylate
SMILESCCOC(=O)C1(C)CC(F)(F)CO1
InChIInChI=1S/C8H12F2O3/c1-3-12-6(11)7(2)4-8(9,10)5-13-7/h3-5H2,1-2H3
InChIKeyLJEYMBDHCRKGSC-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.36
Rot. Bonds2

About ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate

ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate (PubChem CID 146444920) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-difluoro-2-methyloxolane-2-carboxylate
PubChem CID146444920
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Nameethyl 4,4-difluoro-2-methyloxolane-2-carboxylate
SMILESCCOC(=O)C1(C)CC(F)(F)CO1
InChIInChI=1S/C8H12F2O3/c1-3-12-6(11)7(2)4-8(9,10)5-13-7/h3-5H2,1-2H3
InChIKeyLJEYMBDHCRKGSC-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate 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

(2R)-4,4-difluoro-2-methyloxolane-2-carboxamide
CID 162570093
ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
CID 92980111
ethyl 3,3-difluoro-1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 162420364
ethyl 2-ethoxyoxirane-2-carboxylate
CID 123555291
ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate
CID 162586046
ethyl 2-(trifluoromethyl)oxetane-2-carboxylate
CID 90345789
4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
CID 131997082
ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate
CID 10987602
ethyl 1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
CID 138039631
ethyl 6-(aminomethyl)-2,2-difluorospiro[3.3]heptane-6-carboxylate
CID 138991030
ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 171935283
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277

Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate?
The IUPAC name of ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate (CID 146444920) is ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate.
What is the SMILES notation for ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate?
The canonical SMILES for ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate is CCOC(=O)C1(C)CC(F)(F)CO1.
What is the InChIKey of ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate?
The InChIKey is LJEYMBDHCRKGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c1-3-12-6(11)7(2)4-8(9,10)5-13-7/h3-5H2,1-2H3.
What are the key properties of ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate?
ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate has a molecular weight of 194.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate is sourced from PubChem (CID 146444920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).