5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol

C7H11F5O2 — CID 19690261

IUPAC5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol
SMILESCCOCCC(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5O2/c1-2-14-4-3-5(13)6(8,9)7(10,11)12/h5,13H,2-4H2,1H3
InChIKeyAUUOLNOKDSAHCH-UHFFFAOYSA-N
MW222.15 g/mol
LogP1.97
Rot. Bonds5

About 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol

5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol (PubChem CID 19690261) has the molecular formula C7H11F5O2 and a molecular weight of 222.15 g/mol. Its IUPAC name is 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol.

Molecular Properties

Compound Name5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol
PubChem CID19690261
Molecular FormulaC7H11F5O2
Molecular Weight222.15 g/mol
Exact Mass222.07
IUPAC Name5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol
SMILESCCOCCC(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5O2/c1-2-14-4-3-5(13)6(8,9)7(10,11)12/h5,13H,2-4H2,1H3
InChIKeyAUUOLNOKDSAHCH-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol?
The IUPAC name of 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol (CID 19690261) is 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol.
What is the SMILES notation for 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol?
The canonical SMILES for 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol is CCOCCC(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol?
The InChIKey is AUUOLNOKDSAHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O2/c1-2-14-4-3-5(13)6(8,9)7(10,11)12/h5,13H,2-4H2,1H3.
What are the key properties of 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol?
5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol has a molecular weight of 222.15 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol is sourced from PubChem (CID 19690261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).