(2-fluoro-2-methylpropyl) 4-fluorobenzoate

C11H12F2O2 — CID 146162315

IUPAC(2-fluoro-2-methylpropyl) 4-fluorobenzoate
SMILESCC(C)(F)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12F2O2/c1-11(2,13)7-15-10(14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyNQXVDQOQONUFRO-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.73
Rot. Bonds3

About (2-fluoro-2-methylpropyl) 4-fluorobenzoate

(2-fluoro-2-methylpropyl) 4-fluorobenzoate (PubChem CID 146162315) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is (2-fluoro-2-methylpropyl) 4-fluorobenzoate.

Molecular Properties

Compound Name(2-fluoro-2-methylpropyl) 4-fluorobenzoate
PubChem CID146162315
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name(2-fluoro-2-methylpropyl) 4-fluorobenzoate
SMILESCC(C)(F)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12F2O2/c1-11(2,13)7-15-10(14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyNQXVDQOQONUFRO-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
4-(2,2-dimethylpropoxycarbonyl)benzoic acid;terephthalic acid
CID 67409597
[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate
CID 19753341
2-methylsulfanylethyl 4-fluorobenzoate
CID 78790536
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2115637
[3-[4-(2,2-dimethylpropanoyl)benzoyl]oxy-2,2-bis[[4-(2,2-dimethylpropanoyl)benzoyl]oxymethyl]propyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10843367
2,2-dimethylpropyl 4-bromobenzoate
CID 11054767
2-[2-(4-fluorobenzoyl)oxyethyldisulfanyl]ethyl 4-fluorobenzoate
CID 101240856
carbonochloridoyloxymethyl 4-fluorobenzoate
CID 86098984
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
2,2-dimethylpropyl 4-(2,3-dimethylbutanoyl)benzoate
CID 138572836

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-methylpropyl) 4-fluorobenzoate?
The IUPAC name of (2-fluoro-2-methylpropyl) 4-fluorobenzoate (CID 146162315) is (2-fluoro-2-methylpropyl) 4-fluorobenzoate.
What is the SMILES notation for (2-fluoro-2-methylpropyl) 4-fluorobenzoate?
The canonical SMILES for (2-fluoro-2-methylpropyl) 4-fluorobenzoate is CC(C)(F)COC(=O)c1ccc(F)cc1.
What is the InChIKey of (2-fluoro-2-methylpropyl) 4-fluorobenzoate?
The InChIKey is NQXVDQOQONUFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-11(2,13)7-15-10(14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of (2-fluoro-2-methylpropyl) 4-fluorobenzoate?
(2-fluoro-2-methylpropyl) 4-fluorobenzoate has a molecular weight of 214.21 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-methylpropyl) 4-fluorobenzoate is sourced from PubChem (CID 146162315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).