difluorophosphinic acid;hepta-1,6-dien-4-ol

C7H13F2O3P — CID 175351935

IUPACdifluorophosphinic acid;hepta-1,6-dien-4-ol
SMILESC=CCC(O)CC=C.O=P(O)(F)F
InChIInChI=1S/C7H12O.F2HO2P/c1-3-5-7(8)6-4-2;1-5(2,3)4/h3-4,7-8H,1-2,5-6H2;(H,3,4)
InChIKeyFHTRMRCEJJCAFP-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.53
Rot. Bonds4

About difluorophosphinic acid;hepta-1,6-dien-4-ol

difluorophosphinic acid;hepta-1,6-dien-4-ol (PubChem CID 175351935) has the molecular formula C7H13F2O3P and a molecular weight of 214.15 g/mol. Its IUPAC name is difluorophosphinic acid;hepta-1,6-dien-4-ol.

Molecular Properties

Compound Namedifluorophosphinic acid;hepta-1,6-dien-4-ol
PubChem CID175351935
Molecular FormulaC7H13F2O3P
Molecular Weight214.15 g/mol
Exact Mass214.06
IUPAC Namedifluorophosphinic acid;hepta-1,6-dien-4-ol
SMILESC=CCC(O)CC=C.O=P(O)(F)F
InChIInChI=1S/C7H12O.F2HO2P/c1-3-5-7(8)6-4-2;1-5(2,3)4/h3-4,7-8H,1-2,5-6H2;(H,3,4)
InChIKeyFHTRMRCEJJCAFP-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of difluorophosphinic acid;hepta-1,6-dien-4-ol?
The IUPAC name of difluorophosphinic acid;hepta-1,6-dien-4-ol (CID 175351935) is difluorophosphinic acid;hepta-1,6-dien-4-ol.
What is the SMILES notation for difluorophosphinic acid;hepta-1,6-dien-4-ol?
The canonical SMILES for difluorophosphinic acid;hepta-1,6-dien-4-ol is C=CCC(O)CC=C.O=P(O)(F)F.
What is the InChIKey of difluorophosphinic acid;hepta-1,6-dien-4-ol?
The InChIKey is FHTRMRCEJJCAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.F2HO2P/c1-3-5-7(8)6-4-2;1-5(2,3)4/h3-4,7-8H,1-2,5-6H2;(H,3,4).
What are the key properties of difluorophosphinic acid;hepta-1,6-dien-4-ol?
difluorophosphinic acid;hepta-1,6-dien-4-ol has a molecular weight of 214.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphinic acid;hepta-1,6-dien-4-ol is sourced from PubChem (CID 175351935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).