difluorophosphinic acid;hex-1-en-5-yn-3-ol

C6H9F2O3P — CID 175351948

IUPACdifluorophosphinic acid;hex-1-en-5-yn-3-ol
SMILESC#CCC(O)C=C.O=P(O)(F)F
InChIInChI=1S/C6H8O.F2HO2P/c1-3-5-6(7)4-2;1-5(2,3)4/h1,4,6-7H,2,5H2;(H,3,4)
InChIKeyZSKDMJLWCADYDR-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.58
Rot. Bonds2

About difluorophosphinic acid;hex-1-en-5-yn-3-ol

difluorophosphinic acid;hex-1-en-5-yn-3-ol (PubChem CID 175351948) has the molecular formula C6H9F2O3P and a molecular weight of 198.10 g/mol. Its IUPAC name is difluorophosphinic acid;hex-1-en-5-yn-3-ol.

Molecular Properties

Compound Namedifluorophosphinic acid;hex-1-en-5-yn-3-ol
PubChem CID175351948
Molecular FormulaC6H9F2O3P
Molecular Weight198.10 g/mol
Exact Mass198.03
IUPAC Namedifluorophosphinic acid;hex-1-en-5-yn-3-ol
SMILESC#CCC(O)C=C.O=P(O)(F)F
InChIInChI=1S/C6H8O.F2HO2P/c1-3-5-6(7)4-2;1-5(2,3)4/h1,4,6-7H,2,5H2;(H,3,4)
InChIKeyZSKDMJLWCADYDR-UHFFFAOYSA-N
XLogP1.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluorophosphinic acid;hex-1-en-5-yn-3-ol?
The IUPAC name of difluorophosphinic acid;hex-1-en-5-yn-3-ol (CID 175351948) is difluorophosphinic acid;hex-1-en-5-yn-3-ol.
What is the SMILES notation for difluorophosphinic acid;hex-1-en-5-yn-3-ol?
The canonical SMILES for difluorophosphinic acid;hex-1-en-5-yn-3-ol is C#CCC(O)C=C.O=P(O)(F)F.
What is the InChIKey of difluorophosphinic acid;hex-1-en-5-yn-3-ol?
The InChIKey is ZSKDMJLWCADYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.F2HO2P/c1-3-5-6(7)4-2;1-5(2,3)4/h1,4,6-7H,2,5H2;(H,3,4).
What are the key properties of difluorophosphinic acid;hex-1-en-5-yn-3-ol?
difluorophosphinic acid;hex-1-en-5-yn-3-ol has a molecular weight of 198.10 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphinic acid;hex-1-en-5-yn-3-ol is sourced from PubChem (CID 175351948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).