methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate

C4H13FO3-2 — CID 161314513

IUPACmethane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
SMILESC.C=CCO.O.[F-].[OH-]
InChIInChI=1S/C3H6O.CH4.FH.2H2O/c1-2-3-4;;;;/h2,4H,1,3H2;1H4;1H;2*1H2/p-2
InChIKeyJREJVSGWPPQKRY-UHFFFAOYSA-L
MW128.14 g/mol
LogP-3.20
Rot. Bonds1

About methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate

methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate (PubChem CID 161314513) has the molecular formula C4H13FO3-2 and a molecular weight of 128.14 g/mol. Its IUPAC name is methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate.

Molecular Properties

Compound Namemethane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
PubChem CID161314513
Molecular FormulaC4H13FO3-2
Molecular Weight128.14 g/mol
Exact Mass128.09
IUPAC Namemethane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
SMILESC.C=CCO.O.[F-].[OH-]
InChIInChI=1S/C3H6O.CH4.FH.2H2O/c1-2-3-4;;;;/h2,4H,1,3H2;1H4;1H;2*1H2/p-2
InChIKeyJREJVSGWPPQKRY-UHFFFAOYSA-L
XLogP-3.20
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.14
LogP ≤ 5-3.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(prop-2-en-1-ol);titanium
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prop-2-en-1-ol;stannane
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CID 87784373
palladium;prop-2-en-1-ol
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alumane;prop-2-en-1-ol
CID 173215342
ethenol;prop-2-en-1-ol;titanium;dihydrate
CID 88804274
oxirane;prop-2-en-1-ol;hydrate
CID 175380970
ethenol;oxotitanium;prop-2-en-1-ol
CID 88804275
prop-2-en-1-ol;1,3,5-triazine
CID 174415460
2-chloroacetic acid;prop-2-en-1-ol
CID 87152736
oxolane;prop-2-en-1-ol
CID 67851867
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
CID 67065277

Frequently Asked Questions

What is the IUPAC name of methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate?
The IUPAC name of methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate (CID 161314513) is methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate.
What is the SMILES notation for methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate?
The canonical SMILES for methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate is C.C=CCO.O.[F-].[OH-].
What is the InChIKey of methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate?
The InChIKey is JREJVSGWPPQKRY-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6O.CH4.FH.2H2O/c1-2-3-4;;;;/h2,4H,1,3H2;1H4;1H;2*1H2/p-2.
What are the key properties of methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate?
methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate has a molecular weight of 128.14 g/mol, XLogP of -3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate is sourced from PubChem (CID 161314513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).