3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane

C9H11F9O — CID 19761961

IUPAC3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
SMILESCCOC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C9H11F9O/c1-4-19-7(12,5(2,10)8(13,14)15)6(3,11)9(16,17)18/h4H2,1-3H3
InChIKeyVFNDRVBOLYXQJJ-UHFFFAOYSA-N
MW306.17 g/mol
LogP4.27
Rot. Bonds4

About 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane

3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane (PubChem CID 19761961) has the molecular formula C9H11F9O and a molecular weight of 306.17 g/mol. Its IUPAC name is 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane.

Molecular Properties

Compound Name3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
PubChem CID19761961
Molecular FormulaC9H11F9O
Molecular Weight306.17 g/mol
Exact Mass306.07
IUPAC Name3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
SMILESCCOC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C9H11F9O/c1-4-19-7(12,5(2,10)8(13,14)15)6(3,11)9(16,17)18/h4H2,1-3H3
InChIKeyVFNDRVBOLYXQJJ-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane 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 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane?
The IUPAC name of 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane (CID 19761961) is 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane.
What is the SMILES notation for 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane?
The canonical SMILES for 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane is CCOC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane?
The InChIKey is VFNDRVBOLYXQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9O/c1-4-19-7(12,5(2,10)8(13,14)15)6(3,11)9(16,17)18/h4H2,1-3H3.
What are the key properties of 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane?
3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane has a molecular weight of 306.17 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane is sourced from PubChem (CID 19761961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).