1,2-difluorobenzene;ethyl cyclopropanecarboxylate

C12H14F2O2 — CID 145194547

IUPAC1,2-difluorobenzene;ethyl cyclopropanecarboxylate
SMILESCCOC(=O)C1CC1.Fc1ccccc1F
InChIInChI=1S/C6H4F2.C6H10O2/c7-5-3-1-2-4-6(5)8;1-2-8-6(7)5-3-4-5/h1-4H;5H,2-4H2,1H3
InChIKeyJAZJOHOYQNLPGS-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.92
Rot. Bonds2

About 1,2-difluorobenzene;ethyl cyclopropanecarboxylate

1,2-difluorobenzene;ethyl cyclopropanecarboxylate (PubChem CID 145194547) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1,2-difluorobenzene;ethyl cyclopropanecarboxylate.

Molecular Properties

Compound Name1,2-difluorobenzene;ethyl cyclopropanecarboxylate
PubChem CID145194547
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1,2-difluorobenzene;ethyl cyclopropanecarboxylate
SMILESCCOC(=O)C1CC1.Fc1ccccc1F
InChIInChI=1S/C6H4F2.C6H10O2/c7-5-3-1-2-4-6(5)8;1-2-8-6(7)5-3-4-5/h1-4H;5H,2-4H2,1H3
InChIKeyJAZJOHOYQNLPGS-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate
CID 68598367
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 1-[cyano-(2-fluorophenyl)methyl]piperidine-4-carboxylate
CID 84756740
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
ethyl (3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxylate
CID 6939614
ethyl 4-oxocyclohexane-1-carboxylate;toluene
CID 174392547
ethyl cyclopropanecarboxylate;3-methylphenol
CID 144863890

Frequently Asked Questions

What is the IUPAC name of 1,2-difluorobenzene;ethyl cyclopropanecarboxylate?
The IUPAC name of 1,2-difluorobenzene;ethyl cyclopropanecarboxylate (CID 145194547) is 1,2-difluorobenzene;ethyl cyclopropanecarboxylate.
What is the SMILES notation for 1,2-difluorobenzene;ethyl cyclopropanecarboxylate?
The canonical SMILES for 1,2-difluorobenzene;ethyl cyclopropanecarboxylate is CCOC(=O)C1CC1.Fc1ccccc1F.
What is the InChIKey of 1,2-difluorobenzene;ethyl cyclopropanecarboxylate?
The InChIKey is JAZJOHOYQNLPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.C6H10O2/c7-5-3-1-2-4-6(5)8;1-2-8-6(7)5-3-4-5/h1-4H;5H,2-4H2,1H3.
What are the key properties of 1,2-difluorobenzene;ethyl cyclopropanecarboxylate?
1,2-difluorobenzene;ethyl cyclopropanecarboxylate has a molecular weight of 228.24 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorobenzene;ethyl cyclopropanecarboxylate is sourced from PubChem (CID 145194547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).