1,1,1-trifluoropent-4-yn-2-ol

C5H5F3O — CID 11228839

IUPAC1,1,1-trifluoropent-4-yn-2-ol
SMILESC#CCC(O)C(F)(F)F
InChIInChI=1S/C5H5F3O/c1-2-3-4(9)5(6,7)8/h1,4,9H,3H2
InChIKeyAXKNZQYVSJHTGO-UHFFFAOYSA-N
MW138.09 g/mol
LogP0.93
Rot. Bonds1

About 1,1,1-trifluoropent-4-yn-2-ol

1,1,1-trifluoropent-4-yn-2-ol (PubChem CID 11228839) has the molecular formula C5H5F3O and a molecular weight of 138.09 g/mol. Its IUPAC name is 1,1,1-trifluoropent-4-yn-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoropent-4-yn-2-ol
PubChem CID11228839
Molecular FormulaC5H5F3O
Molecular Weight138.09 g/mol
Exact Mass138.03
IUPAC Name1,1,1-trifluoropent-4-yn-2-ol
SMILESC#CCC(O)C(F)(F)F
InChIInChI=1S/C5H5F3O/c1-2-3-4(9)5(6,7)8/h1,4,9H,3H2
InChIKeyAXKNZQYVSJHTGO-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 1,1,1-trifluoropent-4-yn-2-ol?
The IUPAC name of 1,1,1-trifluoropent-4-yn-2-ol (CID 11228839) is 1,1,1-trifluoropent-4-yn-2-ol.
What is the SMILES notation for 1,1,1-trifluoropent-4-yn-2-ol?
The canonical SMILES for 1,1,1-trifluoropent-4-yn-2-ol is C#CCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropent-4-yn-2-ol?
The InChIKey is AXKNZQYVSJHTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O/c1-2-3-4(9)5(6,7)8/h1,4,9H,3H2.
What are the key properties of 1,1,1-trifluoropent-4-yn-2-ol?
1,1,1-trifluoropent-4-yn-2-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 1,1,1-trifluoropent-4-yn-2-ol is sourced from PubChem (CID 11228839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).