dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol

C5H3Cl2F6O3P — CID 175351943

IUPACdichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol
SMILESC#CC(F)(F)C(O)(F)C(F)(F)F.O=P(O)(Cl)Cl
InChIInChI=1S/C5H2F6O.Cl2HO2P/c1-2-3(6,7)4(8,12)5(9,10)11;1-5(2,3)4/h1,12H;(H,3,4)
InChIKeyFBONLAYVJOYWLH-UHFFFAOYSA-N
MW326.94 g/mol
LogP3.04
Rot. Bonds1

About dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol

dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol (PubChem CID 175351943) has the molecular formula C5H3Cl2F6O3P and a molecular weight of 326.94 g/mol. Its IUPAC name is dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol.

Molecular Properties

Compound Namedichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol
PubChem CID175351943
Molecular FormulaC5H3Cl2F6O3P
Molecular Weight326.94 g/mol
Exact Mass325.91
IUPAC Namedichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol
SMILESC#CC(F)(F)C(O)(F)C(F)(F)F.O=P(O)(Cl)Cl
InChIInChI=1S/C5H2F6O.Cl2HO2P/c1-2-3(6,7)4(8,12)5(9,10)11;1-5(2,3)4/h1,12H;(H,3,4)
InChIKeyFBONLAYVJOYWLH-UHFFFAOYSA-N
XLogP3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.94
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne
CID 12769960
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorododeca-1,11-diyne
CID 12769961
2-hydroxy-2-(trifluoromethyl)but-3-ynamide
CID 21024133
[(2-chlorophenyl)-difluoromethyl]phosphonic acid
CID 91535582
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
chlorophosphonic acid;lanthanum
CID 173408477
fluorophosphonic acid;2,2,2-trifluoroacetic acid
CID 173131932
1,1,2,2,2-pentafluoroethylphosphonic acid dichloride
CID 53432341
bromo(trifluoro)methane;phosphoric acid
CID 172736690
chloro(fluoro)phosphinic acid;manganese;stibane
CID 173364992
2,3-difluoropent-4-yne-2,3-diol
CID 91222968

Frequently Asked Questions

What is the IUPAC name of dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol?
The IUPAC name of dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol (CID 175351943) is dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol.
What is the SMILES notation for dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol?
The canonical SMILES for dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol is C#CC(F)(F)C(O)(F)C(F)(F)F.O=P(O)(Cl)Cl.
What is the InChIKey of dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol?
The InChIKey is FBONLAYVJOYWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O.Cl2HO2P/c1-2-3(6,7)4(8,12)5(9,10)11;1-5(2,3)4/h1,12H;(H,3,4).
What are the key properties of dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol?
dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol has a molecular weight of 326.94 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol is sourced from PubChem (CID 175351943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).