ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate

C12H13FO2 — CID 170361396

IUPACethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
SMILESCCOC(=O)c1ccc(F)c2c1CCC2
InChIInChI=1S/C12H13FO2/c1-2-15-12(14)10-6-7-11(13)9-5-3-4-8(9)10/h6-7H,2-5H2,1H3
InChIKeyALUXHUHAGPMELS-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.49
Rot. Bonds2

About ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate

ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 170361396) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID170361396
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Nameethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
SMILESCCOC(=O)c1ccc(F)c2c1CCC2
InChIInChI=1S/C12H13FO2/c1-2-15-12(14)10-6-7-11(13)9-5-3-4-8(9)10/h6-7H,2-5H2,1H3
InChIKeyALUXHUHAGPMELS-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 24974859
ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate
CID 135338938
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
ethyl 2-bromo-4-fluoro-3-methylbenzoate
CID 131143922
4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 22261528
4-ethoxycarbonyl-2-methylbenzenecarbothioic S-acid
CID 87277045
ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 138595746
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate
CID 166806898
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
ethyl 3-bromo-2-(bromomethyl)-4-fluorobenzoate
CID 131266769
4,8-bis(ethoxycarbonyl)naphthalene-1,5-dicarboxylic acid
CID 54479928

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate (CID 170361396) is ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate is CCOC(=O)c1ccc(F)c2c1CCC2.
What is the InChIKey of ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is ALUXHUHAGPMELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-2-15-12(14)10-6-7-11(13)9-5-3-4-8(9)10/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 208.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 170361396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).