(2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate

C10H13F3O4 — CID 20764967

IUPAC(2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC1CCOC1=O)C(F)(F)F
InChIInChI=1S/C10H13F3O4/c1-3-9(2,10(11,12)13)8(15)17-6-4-5-16-7(6)14/h6H,3-5H2,1-2H3
InChIKeyOSNOQENCCILWQO-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.82
Rot. Bonds3

About (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate

(2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate (PubChem CID 20764967) has the molecular formula C10H13F3O4 and a molecular weight of 254.20 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate
PubChem CID20764967
Molecular FormulaC10H13F3O4
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name(2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC1CCOC1=O)C(F)(F)F
InChIInChI=1S/C10H13F3O4/c1-3-9(2,10(11,12)13)8(15)17-6-4-5-16-7(6)14/h6H,3-5H2,1-2H3
InChIKeyOSNOQENCCILWQO-UHFFFAOYSA-N
XLogP1.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate (CID 20764967) is (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate is CCC(C)(C(=O)OC1CCOC1=O)C(F)(F)F.
What is the InChIKey of (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate?
The InChIKey is OSNOQENCCILWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O4/c1-3-9(2,10(11,12)13)8(15)17-6-4-5-16-7(6)14/h6H,3-5H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate?
(2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 254.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 20764967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).