5-ethoxy-1,1,1-trifluoropentan-2-ol

C7H13F3O2 — CID 23297273

IUPAC5-ethoxy-1,1,1-trifluoropentan-2-ol
SMILESCCOCCCC(O)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-2-12-5-3-4-6(11)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyAIXJZRJZOZKLOY-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.73
Rot. Bonds5

About 5-ethoxy-1,1,1-trifluoropentan-2-ol

5-ethoxy-1,1,1-trifluoropentan-2-ol (PubChem CID 23297273) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-ethoxy-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name5-ethoxy-1,1,1-trifluoropentan-2-ol
PubChem CID23297273
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name5-ethoxy-1,1,1-trifluoropentan-2-ol
SMILESCCOCCCC(O)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-2-12-5-3-4-6(11)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyAIXJZRJZOZKLOY-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 5-ethoxy-1,1,1-trifluoropentan-2-ol (CID 23297273) is 5-ethoxy-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 5-ethoxy-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 5-ethoxy-1,1,1-trifluoropentan-2-ol is CCOCCCC(O)C(F)(F)F.
What is the InChIKey of 5-ethoxy-1,1,1-trifluoropentan-2-ol?
The InChIKey is AIXJZRJZOZKLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-2-12-5-3-4-6(11)7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 5-ethoxy-1,1,1-trifluoropentan-2-ol?
5-ethoxy-1,1,1-trifluoropentan-2-ol has a molecular weight of 186.17 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 23297273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).