4,4,5,5,5-pentafluoropentan-1-ol

C5H7F5O — CID 547967

IUPAC4,4,5,5,5-pentafluoropentan-1-ol
SMILESOCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2
InChIKeyQROUUECTKRZFHF-UHFFFAOYSA-N
MW178.10 g/mol
LogP1.96
Rot. Bonds3

About 4,4,5,5,5-pentafluoropentan-1-ol

4,4,5,5,5-pentafluoropentan-1-ol (PubChem CID 547967) has the molecular formula C5H7F5O and a molecular weight of 178.10 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropentan-1-ol.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropentan-1-ol
PubChem CID547967
Molecular FormulaC5H7F5O
Molecular Weight178.10 g/mol
Exact Mass178.04
IUPAC Name4,4,5,5,5-pentafluoropentan-1-ol
SMILESOCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2
InChIKeyQROUUECTKRZFHF-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4,4,5,5,5-pentafluoropentan-1-ol?
The IUPAC name of 4,4,5,5,5-pentafluoropentan-1-ol (CID 547967) is 4,4,5,5,5-pentafluoropentan-1-ol.
What is the SMILES notation for 4,4,5,5,5-pentafluoropentan-1-ol?
The canonical SMILES for 4,4,5,5,5-pentafluoropentan-1-ol is OCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoropentan-1-ol?
The InChIKey is QROUUECTKRZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2.
What are the key properties of 4,4,5,5,5-pentafluoropentan-1-ol?
4,4,5,5,5-pentafluoropentan-1-ol has a molecular weight of 178.10 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropentan-1-ol is sourced from PubChem (CID 547967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).