1-ethoxy-1,1,2,3,3,3-hexafluoropropane

C5H6F6O — CID 2775036

IUPAC1-ethoxy-1,1,2,3,3,3-hexafluoropropane
SMILESCCOC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3
InChIKeyDMECHFLLAQSVAD-UHFFFAOYSA-N
MW196.09 g/mol
LogP2.52
Rot. Bonds3

About 1-ethoxy-1,1,2,3,3,3-hexafluoropropane

1-ethoxy-1,1,2,3,3,3-hexafluoropropane (PubChem CID 2775036) has the molecular formula C5H6F6O and a molecular weight of 196.09 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,3,3,3-hexafluoropropane
PubChem CID2775036
Molecular FormulaC5H6F6O
Molecular Weight196.09 g/mol
Exact Mass196.03
IUPAC Name1-ethoxy-1,1,2,3,3,3-hexafluoropropane
SMILESCCOC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3
InChIKeyDMECHFLLAQSVAD-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxy-1,1,2,3,3,3-hexafluoropropane 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 1-ethoxy-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-ethoxy-1,1,2,3,3,3-hexafluoropropane (CID 2775036) is 1-ethoxy-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-ethoxy-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-ethoxy-1,1,2,3,3,3-hexafluoropropane is CCOC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is DMECHFLLAQSVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,3,3,3-hexafluoropropane?
1-ethoxy-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 196.09 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 2775036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).