difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol

C9H17F2O5P — CID 175359207

IUPACdifluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol
SMILESC#CCC(O)C(C)(C)OCCO.O=P(O)(F)F
InChIInChI=1S/C9H16O3.F2HO2P/c1-4-5-8(11)9(2,3)12-7-6-10;1-5(2,3)4/h1,8,10-11H,5-7H2,2-3H3;(H,3,4)
InChIKeyVVZAZCJFRAEQBS-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.18
Rot. Bonds5

About difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol

difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol (PubChem CID 175359207) has the molecular formula C9H17F2O5P and a molecular weight of 274.20 g/mol. Its IUPAC name is difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol.

Molecular Properties

Compound Namedifluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol
PubChem CID175359207
Molecular FormulaC9H17F2O5P
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Namedifluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol
SMILESC#CCC(O)C(C)(C)OCCO.O=P(O)(F)F
InChIInChI=1S/C9H16O3.F2HO2P/c1-4-5-8(11)9(2,3)12-7-6-10;1-5(2,3)4/h1,8,10-11H,5-7H2,2-3H3;(H,3,4)
InChIKeyVVZAZCJFRAEQBS-UHFFFAOYSA-N
XLogP1.18
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

difluorophosphinic acid;1-[2-(2-hydroxyethoxy)ethoxy]pent-4-yn-2-ol
CID 175359209
2-amino-2-methylhex-5-yn-3-ol
CID 130589365
2-(2,3,4,4-tetramethylpentan-2-yloxy)ethanol
CID 142712531
2-pent-4-yn-2-yloxyethanol
CID 130124823
2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol
CID 142712545
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2-(2,3-dimethyloctan-2-yloxy)ethanol
CID 142712474
3-prop-2-ynylhex-5-ynyl dihydrogen phosphate
CID 121482602
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
1-(2-hydroxyethoxy)butan-2-ol;phosphoric acid
CID 175300111
azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid
CID 175336069

Frequently Asked Questions

What is the IUPAC name of difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol?
The IUPAC name of difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol (CID 175359207) is difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol.
What is the SMILES notation for difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol?
The canonical SMILES for difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol is C#CCC(O)C(C)(C)OCCO.O=P(O)(F)F.
What is the InChIKey of difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol?
The InChIKey is VVZAZCJFRAEQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.F2HO2P/c1-4-5-8(11)9(2,3)12-7-6-10;1-5(2,3)4/h1,8,10-11H,5-7H2,2-3H3;(H,3,4).
What are the key properties of difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol?
difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol has a molecular weight of 274.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphinic acid;2-(2-hydroxyethoxy)-2-methylhex-5-yn-3-ol is sourced from PubChem (CID 175359207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).