2-ethyl-2,5,5-trifluorooxane

C7H11F3O — CID 18684081

IUPAC2-ethyl-2,5,5-trifluorooxane
SMILESCCC1(F)CCC(F)(F)CO1
InChIInChI=1S/C7H11F3O/c1-2-7(10)4-3-6(8,9)5-11-7/h2-5H2,1H3
InChIKeyMTCWLSQYXYJNLW-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.51
Rot. Bonds1

About 2-ethyl-2,5,5-trifluorooxane

2-ethyl-2,5,5-trifluorooxane (PubChem CID 18684081) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-ethyl-2,5,5-trifluorooxane.

Molecular Properties

Compound Name2-ethyl-2,5,5-trifluorooxane
PubChem CID18684081
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-ethyl-2,5,5-trifluorooxane
SMILESCCC1(F)CCC(F)(F)CO1
InChIInChI=1S/C7H11F3O/c1-2-7(10)4-3-6(8,9)5-11-7/h2-5H2,1H3
InChIKeyMTCWLSQYXYJNLW-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-2,5,5-trifluorooxane 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-2,5,5-trifluorooxane?
The IUPAC name of 2-ethyl-2,5,5-trifluorooxane (CID 18684081) is 2-ethyl-2,5,5-trifluorooxane.
What is the SMILES notation for 2-ethyl-2,5,5-trifluorooxane?
The canonical SMILES for 2-ethyl-2,5,5-trifluorooxane is CCC1(F)CCC(F)(F)CO1.
What is the InChIKey of 2-ethyl-2,5,5-trifluorooxane?
The InChIKey is MTCWLSQYXYJNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-2-7(10)4-3-6(8,9)5-11-7/h2-5H2,1H3.
What are the key properties of 2-ethyl-2,5,5-trifluorooxane?
2-ethyl-2,5,5-trifluorooxane has a molecular weight of 168.16 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5,5-trifluorooxane is sourced from PubChem (CID 18684081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).