5,5,5-trifluoropent-1-yn-3-ol

C5H5F3O — CID 89316492

IUPAC5,5,5-trifluoropent-1-yn-3-ol
SMILESC#CC(O)CC(F)(F)F
InChIInChI=1S/C5H5F3O/c1-2-4(9)3-5(6,7)8/h1,4,9H,3H2
InChIKeyPMUFAAZZOWAXCG-UHFFFAOYSA-N
MW138.09 g/mol
LogP0.93
Rot. Bonds1

About 5,5,5-trifluoropent-1-yn-3-ol

5,5,5-trifluoropent-1-yn-3-ol (PubChem CID 89316492) has the molecular formula C5H5F3O and a molecular weight of 138.09 g/mol. Its IUPAC name is 5,5,5-trifluoropent-1-yn-3-ol.

Molecular Properties

Compound Name5,5,5-trifluoropent-1-yn-3-ol
PubChem CID89316492
Molecular FormulaC5H5F3O
Molecular Weight138.09 g/mol
Exact Mass138.03
IUPAC Name5,5,5-trifluoropent-1-yn-3-ol
SMILESC#CC(O)CC(F)(F)F
InChIInChI=1S/C5H5F3O/c1-2-4(9)3-5(6,7)8/h1,4,9H,3H2
InChIKeyPMUFAAZZOWAXCG-UHFFFAOYSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoropent-1-yn-3-ol?
The IUPAC name of 5,5,5-trifluoropent-1-yn-3-ol (CID 89316492) is 5,5,5-trifluoropent-1-yn-3-ol.
What is the SMILES notation for 5,5,5-trifluoropent-1-yn-3-ol?
The canonical SMILES for 5,5,5-trifluoropent-1-yn-3-ol is C#CC(O)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropent-1-yn-3-ol?
The InChIKey is PMUFAAZZOWAXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O/c1-2-4(9)3-5(6,7)8/h1,4,9H,3H2.
What are the key properties of 5,5,5-trifluoropent-1-yn-3-ol?
5,5,5-trifluoropent-1-yn-3-ol has a molecular weight of 138.09 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropent-1-yn-3-ol is sourced from PubChem (CID 89316492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).