oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate

C10H15F3O3 — CID 58003149

IUPACoxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC1CCCO1)C(F)(F)F
InChIInChI=1S/C10H15F3O3/c1-3-9(2,10(11,12)13)8(14)16-7-5-4-6-15-7/h7H,3-6H2,1-2H3
InChIKeyVRAXGOQSJVFTDD-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.64
Rot. Bonds3

About oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate

oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate (PubChem CID 58003149) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Nameoxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
PubChem CID58003149
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Nameoxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC1CCCO1)C(F)(F)F
InChIInChI=1S/C10H15F3O3/c1-3-9(2,10(11,12)13)8(14)16-7-5-4-6-15-7/h7H,3-6H2,1-2H3
InChIKeyVRAXGOQSJVFTDD-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
The IUPAC name of oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate (CID 58003149) is oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate is CCC(C)(C(=O)OC1CCCO1)C(F)(F)F.
What is the InChIKey of oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
The InChIKey is VRAXGOQSJVFTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c1-3-9(2,10(11,12)13)8(14)16-7-5-4-6-15-7/h7H,3-6H2,1-2H3.
What are the key properties of oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 240.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 2-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 58003149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).