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

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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).