difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol

C9H17F2O6P — CID 175359209

IUPACdifluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol
SMILESC#CCC(O)COCCOCCO.O=P(O)(F)F
InChIInChI=1S/C9H16O4.F2HO2P/c1-2-3-9(11)8-13-7-6-12-5-4-10;1-5(2,3)4/h1,9-11H,3-8H2;(H,3,4)
InChIKeyPBQVHVCPNUZMJZ-UHFFFAOYSA-N
MW290.20 g/mol
LogP0.42
Rot. Bonds8

About difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol

difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol (PubChem CID 175359209) has the molecular formula C9H17F2O6P and a molecular weight of 290.20 g/mol. Its IUPAC name is difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol.

Molecular Properties

Compound Namedifluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol
PubChem CID175359209
Molecular FormulaC9H17F2O6P
Molecular Weight290.20 g/mol
Exact Mass290.07
IUPAC Namedifluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol
SMILESC#CCC(O)COCCOCCO.O=P(O)(F)F
InChIInChI=1S/C9H16O4.F2HO2P/c1-2-3-9(11)8-13-7-6-12-5-4-10;1-5(2,3)4/h1,9-11H,3-8H2;(H,3,4)
InChIKeyPBQVHVCPNUZMJZ-UHFFFAOYSA-N
XLogP0.42
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethoxy)butan-2-ol;phosphoric acid
CID 175300111
difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol
CID 175359207
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
dichlorophosphinic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 175359179
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methylphosphonic acid
CID 175378176
4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanal
CID 175781018
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 130317798
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylhexan-2-ol
CID 140523651

Frequently Asked Questions

What is the IUPAC name of difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol?
The IUPAC name of difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol (CID 175359209) is difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol.
What is the SMILES notation for difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol?
The canonical SMILES for difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol is C#CCC(O)COCCOCCO.O=P(O)(F)F.
What is the InChIKey of difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol?
The InChIKey is PBQVHVCPNUZMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.F2HO2P/c1-2-3-9(11)8-13-7-6-12-5-4-10;1-5(2,3)4/h1,9-11H,3-8H2;(H,3,4).
What are the key properties of difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol?
difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol has a molecular weight of 290.20 g/mol, XLogP of 0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol is sourced from PubChem (CID 175359209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).