dimethylamino 4-fluorobenzoate

C9H10FNO2 — CID 134848619

IUPACdimethylamino 4-fluorobenzoate
SMILESCN(C)OC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-11(2)13-9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyWYXMNWYVZIYGNK-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.46
Rot. Bonds2

About dimethylamino 4-fluorobenzoate

dimethylamino 4-fluorobenzoate (PubChem CID 134848619) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is dimethylamino 4-fluorobenzoate.

Molecular Properties

Compound Namedimethylamino 4-fluorobenzoate
PubChem CID134848619
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namedimethylamino 4-fluorobenzoate
SMILESCN(C)OC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-11(2)13-9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyWYXMNWYVZIYGNK-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethylamino 4-chlorobenzoate
CID 134848983
CID 170307924
CID 170307924
fluoro 4-fluorobenzoate
CID 145480473
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2115637
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
prop-1-ynyl 4-fluorobenzoate
CID 67985386
2-methylsulfanylethyl 4-fluorobenzoate
CID 78790536
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium
CID 164747709
2-[2-(4-fluorobenzoyl)oxyethyldisulfanyl]ethyl 4-fluorobenzoate
CID 101240856
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816

Frequently Asked Questions

What is the IUPAC name of dimethylamino 4-fluorobenzoate?
The IUPAC name of dimethylamino 4-fluorobenzoate (CID 134848619) is dimethylamino 4-fluorobenzoate.
What is the SMILES notation for dimethylamino 4-fluorobenzoate?
The canonical SMILES for dimethylamino 4-fluorobenzoate is CN(C)OC(=O)c1ccc(F)cc1.
What is the InChIKey of dimethylamino 4-fluorobenzoate?
The InChIKey is WYXMNWYVZIYGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-11(2)13-9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3.
What are the key properties of dimethylamino 4-fluorobenzoate?
dimethylamino 4-fluorobenzoate has a molecular weight of 183.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 4-fluorobenzoate is sourced from PubChem (CID 134848619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).