2-ethyl-3-(fluoromethyl)oxolane

C7H13FO — CID 58612489

IUPAC2-ethyl-3-(fluoromethyl)oxolane
SMILESCCC1OCCC1CF
InChIInChI=1S/C7H13FO/c1-2-7-6(5-8)3-4-9-7/h6-7H,2-5H2,1H3
InChIKeyRCNIYGZYYIBBQI-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.77
Rot. Bonds2

About 2-ethyl-3-(fluoromethyl)oxolane

2-ethyl-3-(fluoromethyl)oxolane (PubChem CID 58612489) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-ethyl-3-(fluoromethyl)oxolane.

Molecular Properties

Compound Name2-ethyl-3-(fluoromethyl)oxolane
PubChem CID58612489
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name2-ethyl-3-(fluoromethyl)oxolane
SMILESCCC1OCCC1CF
InChIInChI=1S/C7H13FO/c1-2-7-6(5-8)3-4-9-7/h6-7H,2-5H2,1H3
InChIKeyRCNIYGZYYIBBQI-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-3-(fluoromethyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(fluoromethyl)oxolane?
The IUPAC name of 2-ethyl-3-(fluoromethyl)oxolane (CID 58612489) is 2-ethyl-3-(fluoromethyl)oxolane.
What is the SMILES notation for 2-ethyl-3-(fluoromethyl)oxolane?
The canonical SMILES for 2-ethyl-3-(fluoromethyl)oxolane is CCC1OCCC1CF.
What is the InChIKey of 2-ethyl-3-(fluoromethyl)oxolane?
The InChIKey is RCNIYGZYYIBBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-2-7-6(5-8)3-4-9-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-ethyl-3-(fluoromethyl)oxolane?
2-ethyl-3-(fluoromethyl)oxolane has a molecular weight of 132.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(fluoromethyl)oxolane is sourced from PubChem (CID 58612489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).