sodium;fluoro prop-2-enoate;hydride

C3H4FNaO2 — CID 174639418

IUPACsodium;fluoro prop-2-enoate;hydride
SMILESC=CC(=O)OF.[H-].[Na+]
InChIInChI=1S/C3H3FO2.Na.H/c1-2-3(5)6-4;;/h2H,1H2;;/q;+1;-1
InChIKeyYOVQMYBJUAZIBU-UHFFFAOYSA-N
MW114.05 g/mol
LogP-2.28
Rot. Bonds1

About sodium;fluoro prop-2-enoate;hydride

sodium;fluoro prop-2-enoate;hydride (PubChem CID 174639418) has the molecular formula C3H4FNaO2 and a molecular weight of 114.05 g/mol. Its IUPAC name is sodium;fluoro prop-2-enoate;hydride.

Molecular Properties

Compound Namesodium;fluoro prop-2-enoate;hydride
PubChem CID174639418
Molecular FormulaC3H4FNaO2
Molecular Weight114.05 g/mol
Exact Mass114.01
IUPAC Namesodium;fluoro prop-2-enoate;hydride
SMILESC=CC(=O)OF.[H-].[Na+]
InChIInChI=1S/C3H3FO2.Na.H/c1-2-3(5)6-4;;/h2H,1H2;;/q;+1;-1
InChIKeyYOVQMYBJUAZIBU-UHFFFAOYSA-N
XLogP-2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.05
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze sodium;fluoro prop-2-enoate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

fluoro prop-2-enoate;octadecyl prop-2-enoate
CID 175543599
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
trifluoromethyl prop-2-enoate
CID 10197737
nitro prop-2-enoate
CID 22400648
trimethyl(prop-2-enoyloxy)azanium bromide
CID 163213351
sodium;hydride;prop-2-enoyloxymethanesulfonic acid
CID 173366392
disodium;hydride;prop-2-enoyl 2-methylbut-2-enoate
CID 173200570
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
amino prop-2-enoate;hydrofluoride
CID 174948745
sodium;methyl prop-2-enoate;prop-2-enoate
CID 174422946
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
1-fluoroprop-2-enyl prop-2-enoate
CID 87065178

Frequently Asked Questions

What is the IUPAC name of sodium;fluoro prop-2-enoate;hydride?
The IUPAC name of sodium;fluoro prop-2-enoate;hydride (CID 174639418) is sodium;fluoro prop-2-enoate;hydride.
What is the SMILES notation for sodium;fluoro prop-2-enoate;hydride?
The canonical SMILES for sodium;fluoro prop-2-enoate;hydride is C=CC(=O)OF.[H-].[Na+].
What is the InChIKey of sodium;fluoro prop-2-enoate;hydride?
The InChIKey is YOVQMYBJUAZIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO2.Na.H/c1-2-3(5)6-4;;/h2H,1H2;;/q;+1;-1.
What are the key properties of sodium;fluoro prop-2-enoate;hydride?
sodium;fluoro prop-2-enoate;hydride has a molecular weight of 114.05 g/mol, XLogP of -2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;fluoro prop-2-enoate;hydride is sourced from PubChem (CID 174639418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).