difluorophosphinic acid;hex-3-ene-1,2-diol

C6H13F2O4P — CID 175359188

IUPACdifluorophosphinic acid;hex-3-ene-1,2-diol
SMILESCCC=CC(O)CO.O=P(O)(F)F
InChIInChI=1S/C6H12O2.F2HO2P/c1-2-3-4-6(8)5-7;1-5(2,3)4/h3-4,6-8H,2,5H2,1H3;(H,3,4)
InChIKeyMJMXPIXLEYCBLT-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.33
Rot. Bonds3

About difluorophosphinic acid;hex-3-ene-1,2-diol

difluorophosphinic acid;hex-3-ene-1,2-diol (PubChem CID 175359188) has the molecular formula C6H13F2O4P and a molecular weight of 218.14 g/mol. Its IUPAC name is difluorophosphinic acid;hex-3-ene-1,2-diol.

Molecular Properties

Compound Namedifluorophosphinic acid;hex-3-ene-1,2-diol
PubChem CID175359188
Molecular FormulaC6H13F2O4P
Molecular Weight218.14 g/mol
Exact Mass218.05
IUPAC Namedifluorophosphinic acid;hex-3-ene-1,2-diol
SMILESCCC=CC(O)CO.O=P(O)(F)F
InChIInChI=1S/C6H12O2.F2HO2P/c1-2-3-4-6(8)5-7;1-5(2,3)4/h3-4,6-8H,2,5H2,1H3;(H,3,4)
InChIKeyMJMXPIXLEYCBLT-UHFFFAOYSA-N
XLogP1.33
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,3R)-hept-4-en-3-ol
CID 11007865
ethyl 6,7-dihydroxyhept-4-enoate
CID 53423872
(2R,5R)-hex-3-ene-1,2,5,6-tetrol
CID 88508901
but-1-enyl(methyl)phosphinic acid
CID 123464058
(Z)-2-methylhex-3-en-1-ol
CID 15174591
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
(E)-non-3-en-5-ol
CID 18957163
(E)-2-methylhept-4-ene-1,3-diol
CID 14758919
[(Z,4S)-4,5-dihydroxypent-2-enyl] acetate
CID 11040986
2-ethylhex-3-en-1-ol
CID 543244
octadec-3-en-5-ol
CID 144649733
pent-3-ene-1,2-diol;hydrochloride
CID 141276135

Frequently Asked Questions

What is the IUPAC name of difluorophosphinic acid;hex-3-ene-1,2-diol?
The IUPAC name of difluorophosphinic acid;hex-3-ene-1,2-diol (CID 175359188) is difluorophosphinic acid;hex-3-ene-1,2-diol.
What is the SMILES notation for difluorophosphinic acid;hex-3-ene-1,2-diol?
The canonical SMILES for difluorophosphinic acid;hex-3-ene-1,2-diol is CCC=CC(O)CO.O=P(O)(F)F.
What is the InChIKey of difluorophosphinic acid;hex-3-ene-1,2-diol?
The InChIKey is MJMXPIXLEYCBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.F2HO2P/c1-2-3-4-6(8)5-7;1-5(2,3)4/h3-4,6-8H,2,5H2,1H3;(H,3,4).
What are the key properties of difluorophosphinic acid;hex-3-ene-1,2-diol?
difluorophosphinic acid;hex-3-ene-1,2-diol has a molecular weight of 218.14 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphinic acid;hex-3-ene-1,2-diol is sourced from PubChem (CID 175359188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).