2-methylpropyl 2,5-difluorobenzoate

C11H12F2O2 — CID 74788614

IUPAC2-methylpropyl 2,5-difluorobenzoate
SMILESCC(C)COC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H12F2O2/c1-7(2)6-15-11(14)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3
InChIKeyJRRNGJIPVLPHJM-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.78
Rot. Bonds3

About 2-methylpropyl 2,5-difluorobenzoate

2-methylpropyl 2,5-difluorobenzoate (PubChem CID 74788614) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-methylpropyl 2,5-difluorobenzoate.

Molecular Properties

Compound Name2-methylpropyl 2,5-difluorobenzoate
PubChem CID74788614
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-methylpropyl 2,5-difluorobenzoate
SMILESCC(C)COC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H12F2O2/c1-7(2)6-15-11(14)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3
InChIKeyJRRNGJIPVLPHJM-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropyl 5-fluoro-2-(trifluoromethyl)benzoate
CID 91730592
4-methylpentyl 2,5-difluorobenzoate
CID 91716954
propyl 2,5-difluorobenzoate
CID 43416946
2,2-dimethylpropyl 2,5-difluorobenzoate
CID 91716897
5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate
CID 91716914
2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one
CID 82048981
heptadecyl 2,5-difluorobenzoate
CID 91723296
2-O-(3-fluorophenyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91719768
bis(2-methylpropyl) 3-fluorobenzene-1,2-dicarboxylate
CID 23502306
(2-hydroxy-3-methylbutyl) 2-amino-5-fluorobenzoate
CID 114249945
2-methylpropyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65397926
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2,5-difluorobenzoate?
The IUPAC name of 2-methylpropyl 2,5-difluorobenzoate (CID 74788614) is 2-methylpropyl 2,5-difluorobenzoate.
What is the SMILES notation for 2-methylpropyl 2,5-difluorobenzoate?
The canonical SMILES for 2-methylpropyl 2,5-difluorobenzoate is CC(C)COC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-methylpropyl 2,5-difluorobenzoate?
The InChIKey is JRRNGJIPVLPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(2)6-15-11(14)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-methylpropyl 2,5-difluorobenzoate?
2-methylpropyl 2,5-difluorobenzoate has a molecular weight of 214.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2,5-difluorobenzoate is sourced from PubChem (CID 74788614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).