2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate

C15H19FO4 — CID 69124983

IUPAC2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(F)cc1C(=O)OCC(C)(C)C
InChIInChI=1S/C15H19FO4/c1-5-19-13(17)11-7-6-10(16)8-12(11)14(18)20-9-15(2,3)4/h6-8H,5,9H2,1-4H3
InChIKeyOPRYEVMLVAERFC-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.21
Rot. Bonds4

About 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate

2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate (PubChem CID 69124983) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate
PubChem CID69124983
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(F)cc1C(=O)OCC(C)(C)C
InChIInChI=1S/C15H19FO4/c1-5-19-13(17)11-7-6-10(16)8-12(11)14(18)20-9-15(2,3)4/h6-8H,5,9H2,1-4H3
InChIKeyOPRYEVMLVAERFC-UHFFFAOYSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropyl 2,5-difluorobenzoate
CID 91716897
1-O-(2,2-dimethylpropyl) 2-O-ethyl 4-chlorobenzene-1,2-dicarboxylate
CID 23502380
2,2-dimethylpropyl 4-fluoro-2-(trifluoromethyl)benzoate
CID 91730603
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-chloro-5-methylbenzene-1,2-dicarboxylate
CID 69119809
dibutyl 4-fluorobenzene-1,2-dicarboxylate
CID 23502472
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242
2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-chloro-5-ethylbenzene-1,2-dicarboxylate
CID 69119690
ethyl 5-fluoro-2-formylbenzoate
CID 124705480
ethyl 4-fluoro-2-hydrazinylbenzoate
CID 131143965
ethyl 2-ethylsulfanyl-4-fluorobenzoate
CID 91875883
2-O-(3,5-difluorophenyl) 1-O-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate
CID 6423600

Frequently Asked Questions

What is the IUPAC name of 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate?
The IUPAC name of 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate (CID 69124983) is 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate?
The canonical SMILES for 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate is CCOC(=O)c1ccc(F)cc1C(=O)OCC(C)(C)C.
What is the InChIKey of 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate?
The InChIKey is OPRYEVMLVAERFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-5-19-13(17)11-7-6-10(16)8-12(11)14(18)20-9-15(2,3)4/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate?
2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate has a molecular weight of 282.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate is sourced from PubChem (CID 69124983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).