sodium;hydride;methyl 4-fluorobenzoate

C8H8FNaO2 — CID 174143193

IUPACsodium;hydride;methyl 4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1.[H-].[Na+]
InChIInChI=1S/C8H7FO2.Na.H/c1-11-8(10)6-2-4-7(9)5-3-6;;/h2-5H,1H3;;/q;+1;-1
InChIKeyVSMUHSMQYVBGIN-UHFFFAOYSA-N
MW178.14 g/mol
LogP-1.27
Rot. Bonds1

About sodium;hydride;methyl 4-fluorobenzoate

sodium;hydride;methyl 4-fluorobenzoate (PubChem CID 174143193) has the molecular formula C8H8FNaO2 and a molecular weight of 178.14 g/mol. Its IUPAC name is sodium;hydride;methyl 4-fluorobenzoate.

Molecular Properties

Compound Namesodium;hydride;methyl 4-fluorobenzoate
PubChem CID174143193
Molecular FormulaC8H8FNaO2
Molecular Weight178.14 g/mol
Exact Mass178.04
IUPAC Namesodium;hydride;methyl 4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1.[H-].[Na+]
InChIInChI=1S/C8H7FO2.Na.H/c1-11-8(10)6-2-4-7(9)5-3-6;;/h2-5H,1H3;;/q;+1;-1
InChIKeyVSMUHSMQYVBGIN-UHFFFAOYSA-N
XLogP-1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 170307924
CID 170307924
bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium
CID 164747709
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
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methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate
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methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
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methyl 4-[3-(4-fluorophenyl)propyl]benzoate
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dimethyl 5-(4-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 8001456
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
sodium 4-methoxycarbonylbenzenethiolate
CID 102377874
methyl 3-bromo-4-(4-fluorobenzoyl)oxybenzoate
CID 4953522

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methyl 4-fluorobenzoate?
The IUPAC name of sodium;hydride;methyl 4-fluorobenzoate (CID 174143193) is sodium;hydride;methyl 4-fluorobenzoate.
What is the SMILES notation for sodium;hydride;methyl 4-fluorobenzoate?
The canonical SMILES for sodium;hydride;methyl 4-fluorobenzoate is COC(=O)c1ccc(F)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;methyl 4-fluorobenzoate?
The InChIKey is VSMUHSMQYVBGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2.Na.H/c1-11-8(10)6-2-4-7(9)5-3-6;;/h2-5H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;methyl 4-fluorobenzoate?
sodium;hydride;methyl 4-fluorobenzoate has a molecular weight of 178.14 g/mol, XLogP of -1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methyl 4-fluorobenzoate is sourced from PubChem (CID 174143193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).