4-ethoxy-1,1,1,2,3,3-hexafluoropentane

C7H10F6O — CID 13271509

IUPAC4-ethoxy-1,1,1,2,3,3-hexafluoropentane
SMILESCCOC(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-14-4(2)6(9,10)5(8)7(11,12)13/h4-5H,3H2,1-2H3
InChIKeyYSJPWKICFXZRAH-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.95
Rot. Bonds4

About 4-ethoxy-1,1,1,2,3,3-hexafluoropentane

4-ethoxy-1,1,1,2,3,3-hexafluoropentane (PubChem CID 13271509) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 4-ethoxy-1,1,1,2,3,3-hexafluoropentane.

Molecular Properties

Compound Name4-ethoxy-1,1,1,2,3,3-hexafluoropentane
PubChem CID13271509
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name4-ethoxy-1,1,1,2,3,3-hexafluoropentane
SMILESCCOC(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-14-4(2)6(9,10)5(8)7(11,12)13/h4-5H,3H2,1-2H3
InChIKeyYSJPWKICFXZRAH-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethoxy-1,1,1,2,3,3-hexafluoropentane 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 4-ethoxy-1,1,1,2,3,3-hexafluoropentane?
The IUPAC name of 4-ethoxy-1,1,1,2,3,3-hexafluoropentane (CID 13271509) is 4-ethoxy-1,1,1,2,3,3-hexafluoropentane.
What is the SMILES notation for 4-ethoxy-1,1,1,2,3,3-hexafluoropentane?
The canonical SMILES for 4-ethoxy-1,1,1,2,3,3-hexafluoropentane is CCOC(C)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 4-ethoxy-1,1,1,2,3,3-hexafluoropentane?
The InChIKey is YSJPWKICFXZRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-3-14-4(2)6(9,10)5(8)7(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethoxy-1,1,1,2,3,3-hexafluoropentane?
4-ethoxy-1,1,1,2,3,3-hexafluoropentane has a molecular weight of 224.14 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,1,1,2,3,3-hexafluoropentane is sourced from PubChem (CID 13271509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).