3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane

C7H7F9O — CID 126575026

IUPAC3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane
SMILESCCOC(F)(CC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-17-4(8,3-5(9,10)11)6(12,13)7(14,15)16/h2-3H2,1H3
InChIKeyVKZURWPVQZPGAN-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.84
Rot. Bonds4

About 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane

3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane (PubChem CID 126575026) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane.

Molecular Properties

Compound Name3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane
PubChem CID126575026
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane
SMILESCCOC(F)(CC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-17-4(8,3-5(9,10)11)6(12,13)7(14,15)16/h2-3H2,1H3
InChIKeyVKZURWPVQZPGAN-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane with MolForge

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

Launch Full Analysis

Related Compounds

3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 122391796
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
CID 91447807
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 87277022
1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
CID 101378869
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 165349343
2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine
CID 105452014
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 87992619
3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961
1-ethoxy-1,1,2,2,3,3-hexafluorobutane
CID 152519204
1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite
CID 158817441
1-(2-ethoxyethoxy)-1,1,3,3,3-pentafluoropropane
CID 126551294
12-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
CID 58954528

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane?
The IUPAC name of 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane (CID 126575026) is 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane.
What is the SMILES notation for 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane?
The canonical SMILES for 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane is CCOC(F)(CC(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane?
The InChIKey is VKZURWPVQZPGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c1-2-17-4(8,3-5(9,10)11)6(12,13)7(14,15)16/h2-3H2,1H3.
What are the key properties of 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane?
3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane has a molecular weight of 278.11 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane is sourced from PubChem (CID 126575026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).