difluorophosphinic acid;hexa-1,5-dien-3-ol

C6H11F2O3P — CID 175386378

IUPACdifluorophosphinic acid;hexa-1,5-dien-3-ol
SMILESC=CCC(O)C=C.O=P(O)(F)F
InChIInChI=1S/C6H10O.F2HO2P/c1-3-5-6(7)4-2;1-5(2,3)4/h3-4,6-7H,1-2,5H2;(H,3,4)
InChIKeyUGCUPPLDNKGYPV-UHFFFAOYSA-N
MW200.12 g/mol
LogP2.14
Rot. Bonds3

About difluorophosphinic acid;hexa-1,5-dien-3-ol

difluorophosphinic acid;hexa-1,5-dien-3-ol (PubChem CID 175386378) has the molecular formula C6H11F2O3P and a molecular weight of 200.12 g/mol. Its IUPAC name is difluorophosphinic acid;hexa-1,5-dien-3-ol.

Molecular Properties

Compound Namedifluorophosphinic acid;hexa-1,5-dien-3-ol
PubChem CID175386378
Molecular FormulaC6H11F2O3P
Molecular Weight200.12 g/mol
Exact Mass200.04
IUPAC Namedifluorophosphinic acid;hexa-1,5-dien-3-ol
SMILESC=CCC(O)C=C.O=P(O)(F)F
InChIInChI=1S/C6H10O.F2HO2P/c1-3-5-6(7)4-2;1-5(2,3)4/h3-4,6-7H,1-2,5H2;(H,3,4)
InChIKeyUGCUPPLDNKGYPV-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 52.14
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'}

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Related Compounds

3-Difluorophosphoryloxyhexa-1,5-diene
CID 166519656
Dichlorophosphinic acid;hexa-1,5-dien-3-ol
CID 175351921
Difluorophosphinic acid;penta-1,4-dien-3-ol
CID 175351931
Difluorophosphinic acid;hepta-1,6-dien-4-ol
CID 175351935
Difluorophosphinic acid;hex-1-en-5-yn-3-ol
CID 175351948

Frequently Asked Questions

What is the IUPAC name of difluorophosphinic acid;hexa-1,5-dien-3-ol?
The IUPAC name of difluorophosphinic acid;hexa-1,5-dien-3-ol (CID 175386378) is difluorophosphinic acid;hexa-1,5-dien-3-ol.
What is the SMILES notation for difluorophosphinic acid;hexa-1,5-dien-3-ol?
The canonical SMILES for difluorophosphinic acid;hexa-1,5-dien-3-ol is C=CCC(O)C=C.O=P(O)(F)F.
What is the InChIKey of difluorophosphinic acid;hexa-1,5-dien-3-ol?
The InChIKey is UGCUPPLDNKGYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.F2HO2P/c1-3-5-6(7)4-2;1-5(2,3)4/h3-4,6-7H,1-2,5H2;(H,3,4).
What are the key properties of difluorophosphinic acid;hexa-1,5-dien-3-ol?
difluorophosphinic acid;hexa-1,5-dien-3-ol has a molecular weight of 200.12 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphinic acid;hexa-1,5-dien-3-ol is sourced from PubChem (CID 175386378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).