1-[4-(trifluoromethyl)oxolan-2-yl]ethanone

C7H9F3O2 — CID 138517515

IUPAC1-[4-(trifluoromethyl)oxolan-2-yl]ethanone
SMILESCC(=O)C1CC(C(F)(F)F)CO1
InChIInChI=1S/C7H9F3O2/c1-4(11)6-2-5(3-12-6)7(8,9)10/h5-6H,2-3H2,1H3
InChIKeyXISUMOYBCWCNRA-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.54
Rot. Bonds1

About 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone

1-[4-(trifluoromethyl)oxolan-2-yl]ethanone (PubChem CID 138517515) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)oxolan-2-yl]ethanone
PubChem CID138517515
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name1-[4-(trifluoromethyl)oxolan-2-yl]ethanone
SMILESCC(=O)C1CC(C(F)(F)F)CO1
InChIInChI=1S/C7H9F3O2/c1-4(11)6-2-5(3-12-6)7(8,9)10/h5-6H,2-3H2,1H3
InChIKeyXISUMOYBCWCNRA-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone?
The IUPAC name of 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone (CID 138517515) is 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone?
The canonical SMILES for 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone is CC(=O)C1CC(C(F)(F)F)CO1.
What is the InChIKey of 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone?
The InChIKey is XISUMOYBCWCNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-4(11)6-2-5(3-12-6)7(8,9)10/h5-6H,2-3H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone?
1-[4-(trifluoromethyl)oxolan-2-yl]ethanone has a molecular weight of 182.14 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)oxolan-2-yl]ethanone is sourced from PubChem (CID 138517515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).