ethyl 2-cyclopropyl-4-fluorobenzoate

C12H13FO2 — CID 150607366

IUPACethyl 2-cyclopropyl-4-fluorobenzoate
SMILESCCOC(=O)c1ccc(F)cc1C1CC1
InChIInChI=1S/C12H13FO2/c1-2-15-12(14)10-6-5-9(13)7-11(10)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyITDSCOZTMMYTBJ-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.88
Rot. Bonds3

About ethyl 2-cyclopropyl-4-fluorobenzoate

ethyl 2-cyclopropyl-4-fluorobenzoate (PubChem CID 150607366) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-4-fluorobenzoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-4-fluorobenzoate
PubChem CID150607366
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Nameethyl 2-cyclopropyl-4-fluorobenzoate
SMILESCCOC(=O)c1ccc(F)cc1C1CC1
InChIInChI=1S/C12H13FO2/c1-2-15-12(14)10-6-5-9(13)7-11(10)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyITDSCOZTMMYTBJ-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 2-cyclopropyl-5-ethoxy-4-fluorobenzoate
CID 90422988
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CID 143556291
ethyl 2-cyclobutylbenzoate
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ethyl 4-fluoro-2-hydrazinylbenzoate
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ethyl 2-ethylsulfanyl-4-fluorobenzoate
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ethyl 4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoate
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2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242
ethyl 4-fluoro-2-nitrobenzoate
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ethyl 5-fluoro-2-formylbenzoate
CID 124705480
diethyl 4-(2-chloro-4-fluorophenyl)-2,6-di(cyclobutyl)-1,4-dihydropyridine-3,5-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-4-fluorobenzoate?
The IUPAC name of ethyl 2-cyclopropyl-4-fluorobenzoate (CID 150607366) is ethyl 2-cyclopropyl-4-fluorobenzoate.
What is the SMILES notation for ethyl 2-cyclopropyl-4-fluorobenzoate?
The canonical SMILES for ethyl 2-cyclopropyl-4-fluorobenzoate is CCOC(=O)c1ccc(F)cc1C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-4-fluorobenzoate?
The InChIKey is ITDSCOZTMMYTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-2-15-12(14)10-6-5-9(13)7-11(10)8-3-4-8/h5-8H,2-4H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-4-fluorobenzoate?
ethyl 2-cyclopropyl-4-fluorobenzoate has a molecular weight of 208.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-4-fluorobenzoate is sourced from PubChem (CID 150607366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).