2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol

C8H11F5O3 — CID 89172035

IUPAC2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol
SMILESC=CCOC(F)(F)C(O)(OCC)C(F)(F)F
InChIInChI=1S/C8H11F5O3/c1-3-5-16-8(12,13)6(14,15-4-2)7(9,10)11/h3,14H,1,4-5H2,2H3
InChIKeyHLEPUSOMPGXBTJ-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.07
Rot. Bonds6

About 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol

2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol (PubChem CID 89172035) has the molecular formula C8H11F5O3 and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol
PubChem CID89172035
Molecular FormulaC8H11F5O3
Molecular Weight250.16 g/mol
Exact Mass250.06
IUPAC Name2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol
SMILESC=CCOC(F)(F)C(O)(OCC)C(F)(F)F
InChIInChI=1S/C8H11F5O3/c1-3-5-16-8(12,13)6(14,15-4-2)7(9,10)11/h3,14H,1,4-5H2,2H3
InChIKeyHLEPUSOMPGXBTJ-UHFFFAOYSA-N
XLogP2.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol 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-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol (CID 89172035) is 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol is C=CCOC(F)(F)C(O)(OCC)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol?
The InChIKey is HLEPUSOMPGXBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O3/c1-3-5-16-8(12,13)6(14,15-4-2)7(9,10)11/h3,14H,1,4-5H2,2H3.
What are the key properties of 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol?
2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol has a molecular weight of 250.16 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,3,3-pentafluoro-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 89172035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).