ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate

C10H16F2O3 — CID 10331123

IUPACethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate
SMILESCCOC(=O)C(F)(F)CC1COCC1C
InChIInChI=1S/C10H16F2O3/c1-3-15-9(13)10(11,12)4-8-6-14-5-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyYWLKQEZQUNGYNT-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.86
Rot. Bonds4

About ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate

ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate (PubChem CID 10331123) has the molecular formula C10H16F2O3 and a molecular weight of 222.23 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate
PubChem CID10331123
Molecular FormulaC10H16F2O3
Molecular Weight222.23 g/mol
Exact Mass222.11
IUPAC Nameethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate
SMILESCCOC(=O)C(F)(F)CC1COCC1C
InChIInChI=1S/C10H16F2O3/c1-3-15-9(13)10(11,12)4-8-6-14-5-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyYWLKQEZQUNGYNT-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate?
The IUPAC name of ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate (CID 10331123) is ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate is CCOC(=O)C(F)(F)CC1COCC1C.
What is the InChIKey of ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate?
The InChIKey is YWLKQEZQUNGYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O3/c1-3-15-9(13)10(11,12)4-8-6-14-5-7(8)2/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate?
ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate has a molecular weight of 222.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate is sourced from PubChem (CID 10331123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).