sodium (Z)-2-fluorobut-1-en-1-olate

C4H6FNaO — CID 140663889

IUPACsodium (Z)-2-fluorobut-1-en-1-olate
SMILESCC/C(F)=C/[O-].[Na+]
InChIInChI=1S/C4H7FO.Na/c1-2-4(5)3-6;/h3,6H,2H2,1H3;/q;+1/p-1/b4-3-;
InChIKeyYXWGXSDXUHTUJQ-LNKPDPKZSA-M
MW112.08 g/mol
LogP-2.43
Rot. Bonds1

About sodium (Z)-2-fluorobut-1-en-1-olate

sodium (Z)-2-fluorobut-1-en-1-olate (PubChem CID 140663889) has the molecular formula C4H6FNaO and a molecular weight of 112.08 g/mol. Its IUPAC name is sodium (Z)-2-fluorobut-1-en-1-olate.

Molecular Properties

Compound Namesodium (Z)-2-fluorobut-1-en-1-olate
PubChem CID140663889
Molecular FormulaC4H6FNaO
Molecular Weight112.08 g/mol
Exact Mass112.03
IUPAC Namesodium (Z)-2-fluorobut-1-en-1-olate
SMILESCC/C(F)=C/[O-].[Na+]
InChIInChI=1S/C4H7FO.Na/c1-2-4(5)3-6;/h3,6H,2H2,1H3;/q;+1/p-1/b4-3-;
InChIKeyYXWGXSDXUHTUJQ-LNKPDPKZSA-M
XLogP-2.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.08
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3E)-4-fluorohexa-1,3-diene
CID 88586520
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875
(E)-4-fluorohex-3-en-2-ol
CID 158264026
(2Z,5E)-6-fluoroocta-2,5-diene
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(Z)-3,4-difluorohex-3-ene
CID 143535367
(E)-3-fluoro-1-methylsulfonylpent-2-ene
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CID 173429425
(2E,4E)-5-fluoro-2-methylhepta-2,4-dienenitrile
CID 176963287
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CID 88666887
trisodium;propanoate
CID 86625665
(E)-N-ethyl-3-fluoro-N-methylpent-2-enamide
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1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene
CID 44549550

Frequently Asked Questions

What is the IUPAC name of sodium (Z)-2-fluorobut-1-en-1-olate?
The IUPAC name of sodium (Z)-2-fluorobut-1-en-1-olate (CID 140663889) is sodium (Z)-2-fluorobut-1-en-1-olate.
What is the SMILES notation for sodium (Z)-2-fluorobut-1-en-1-olate?
The canonical SMILES for sodium (Z)-2-fluorobut-1-en-1-olate is CC/C(F)=C/[O-].[Na+].
What is the InChIKey of sodium (Z)-2-fluorobut-1-en-1-olate?
The InChIKey is YXWGXSDXUHTUJQ-LNKPDPKZSA-M. The full InChI is InChI=1S/C4H7FO.Na/c1-2-4(5)3-6;/h3,6H,2H2,1H3;/q;+1/p-1/b4-3-;.
What are the key properties of sodium (Z)-2-fluorobut-1-en-1-olate?
sodium (Z)-2-fluorobut-1-en-1-olate has a molecular weight of 112.08 g/mol, XLogP of -2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-2-fluorobut-1-en-1-olate is sourced from PubChem (CID 140663889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).