3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde

C7H9F3O2 — CID 130689906

IUPAC3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde
SMILESO=CC1(CC(F)(F)F)CCOC1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)3-6(4-11)1-2-12-5-6/h4H,1-3,5H2
InChIKeyNWLFHIGVXFCWFF-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.54
Rot. Bonds2

About 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde

3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde (PubChem CID 130689906) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde
PubChem CID130689906
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde
SMILESO=CC1(CC(F)(F)F)CCOC1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)3-6(4-11)1-2-12-5-6/h4H,1-3,5H2
InChIKeyNWLFHIGVXFCWFF-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde?
The IUPAC name of 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde (CID 130689906) is 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde is O=CC1(CC(F)(F)F)CCOC1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde?
The InChIKey is NWLFHIGVXFCWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c8-7(9,10)3-6(4-11)1-2-12-5-6/h4H,1-3,5H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde?
3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde has a molecular weight of 182.14 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 130689906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).