2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol

C9H16F4O3 — CID 91011456

IUPAC2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol
SMILESCCOCC(CO)(CC(F)(F)C(F)F)OC
InChIInChI=1S/C9H16F4O3/c1-3-16-6-8(5-14,15-2)4-9(12,13)7(10)11/h7,14H,3-6H2,1-2H3
InChIKeyHCIOBTCAXIKNET-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.69
Rot. Bonds8

About 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol

2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol (PubChem CID 91011456) has the molecular formula C9H16F4O3 and a molecular weight of 248.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol.

Molecular Properties

Compound Name2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol
PubChem CID91011456
Molecular FormulaC9H16F4O3
Molecular Weight248.22 g/mol
Exact Mass248.10
IUPAC Name2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol
SMILESCCOCC(CO)(CC(F)(F)C(F)F)OC
InChIInChI=1S/C9H16F4O3/c1-3-16-6-8(5-14,15-2)4-9(12,13)7(10)11/h7,14H,3-6H2,1-2H3
InChIKeyHCIOBTCAXIKNET-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol?
The IUPAC name of 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol (CID 91011456) is 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol.
What is the SMILES notation for 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol?
The canonical SMILES for 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol is CCOCC(CO)(CC(F)(F)C(F)F)OC.
What is the InChIKey of 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol?
The InChIKey is HCIOBTCAXIKNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4O3/c1-3-16-6-8(5-14,15-2)4-9(12,13)7(10)11/h7,14H,3-6H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol?
2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol has a molecular weight of 248.22 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4,4,5,5-tetrafluoro-2-methoxypentan-1-ol is sourced from PubChem (CID 91011456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).