fluoro 4-fluorobenzoate

C7H4F2O2 — CID 145480473

IUPACfluoro 4-fluorobenzoate
SMILESO=C(OF)c1ccc(F)cc1
InChIInChI=1S/C7H4F2O2/c8-6-3-1-5(2-4-6)7(10)11-9/h1-4H
InChIKeyLRMAMPRQVHAJFV-UHFFFAOYSA-N
MW158.10 g/mol
LogP1.87
Rot. Bonds1

About fluoro 4-fluorobenzoate

fluoro 4-fluorobenzoate (PubChem CID 145480473) has the molecular formula C7H4F2O2 and a molecular weight of 158.10 g/mol. Its IUPAC name is fluoro 4-fluorobenzoate.

Molecular Properties

Compound Namefluoro 4-fluorobenzoate
PubChem CID145480473
Molecular FormulaC7H4F2O2
Molecular Weight158.10 g/mol
Exact Mass158.02
IUPAC Namefluoro 4-fluorobenzoate
SMILESO=C(OF)c1ccc(F)cc1
InChIInChI=1S/C7H4F2O2/c8-6-3-1-5(2-4-6)7(10)11-9/h1-4H
InChIKeyLRMAMPRQVHAJFV-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.10
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 170307924
CID 170307924
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
fluoro 4-aminosulfanylbenzoate
CID 145294745
dimethylamino 4-fluorobenzoate
CID 134848619
cyclopropyl 4-fluorobenzoate
CID 126986458
ethenyl 4-fluorobenzoate
CID 54757351
prop-1-ynyl 4-fluorobenzoate
CID 67985386
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
fluoro 4-propan-2-yloxybenzoate
CID 174701102
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
cyclopentyl 4-fluorobenzoate
CID 579482

Frequently Asked Questions

What is the IUPAC name of fluoro 4-fluorobenzoate?
The IUPAC name of fluoro 4-fluorobenzoate (CID 145480473) is fluoro 4-fluorobenzoate.
What is the SMILES notation for fluoro 4-fluorobenzoate?
The canonical SMILES for fluoro 4-fluorobenzoate is O=C(OF)c1ccc(F)cc1.
What is the InChIKey of fluoro 4-fluorobenzoate?
The InChIKey is LRMAMPRQVHAJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O2/c8-6-3-1-5(2-4-6)7(10)11-9/h1-4H.
What are the key properties of fluoro 4-fluorobenzoate?
fluoro 4-fluorobenzoate has a molecular weight of 158.10 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-fluorobenzoate is sourced from PubChem (CID 145480473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).