4,4,5,5-tetrafluoropentan-2-ol

C5H8F4O — CID 131061196

IUPAC4,4,5,5-tetrafluoropentan-2-ol
SMILESCC(O)CC(F)(F)C(F)F
InChIInChI=1S/C5H8F4O/c1-3(10)2-5(8,9)4(6)7/h3-4,10H,2H2,1H3
InChIKeyNWSVQYKSOKMCEZ-UHFFFAOYSA-N
MW160.11 g/mol
LogP1.66
Rot. Bonds3

About 4,4,5,5-tetrafluoropentan-2-ol

4,4,5,5-tetrafluoropentan-2-ol (PubChem CID 131061196) has the molecular formula C5H8F4O and a molecular weight of 160.11 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoropentan-2-ol.

Molecular Properties

Compound Name4,4,5,5-tetrafluoropentan-2-ol
PubChem CID131061196
Molecular FormulaC5H8F4O
Molecular Weight160.11 g/mol
Exact Mass160.05
IUPAC Name4,4,5,5-tetrafluoropentan-2-ol
SMILESCC(O)CC(F)(F)C(F)F
InChIInChI=1S/C5H8F4O/c1-3(10)2-5(8,9)4(6)7/h3-4,10H,2H2,1H3
InChIKeyNWSVQYKSOKMCEZ-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 51.66
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-tetrafluoropentan-2-ol?
The IUPAC name of 4,4,5,5-tetrafluoropentan-2-ol (CID 131061196) is 4,4,5,5-tetrafluoropentan-2-ol.
What is the SMILES notation for 4,4,5,5-tetrafluoropentan-2-ol?
The canonical SMILES for 4,4,5,5-tetrafluoropentan-2-ol is CC(O)CC(F)(F)C(F)F.
What is the InChIKey of 4,4,5,5-tetrafluoropentan-2-ol?
The InChIKey is NWSVQYKSOKMCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O/c1-3(10)2-5(8,9)4(6)7/h3-4,10H,2H2,1H3.
What are the key properties of 4,4,5,5-tetrafluoropentan-2-ol?
4,4,5,5-tetrafluoropentan-2-ol has a molecular weight of 160.11 g/mol, XLogP of 1.66, 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-tetrafluoropentan-2-ol is sourced from PubChem (CID 131061196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).