ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate

C12H13FO2 — CID 154881561

IUPACethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C1Cc2ccc(F)cc2C1
InChIInChI=1S/C12H13FO2/c1-2-15-12(14)10-5-8-3-4-11(13)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3
InChIKeyJOFPGKPZJXJHTD-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.10
Rot. Bonds2

About ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate

ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 154881561) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID154881561
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Nameethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C1Cc2ccc(F)cc2C1
InChIInChI=1S/C12H13FO2/c1-2-15-12(14)10-5-8-3-4-11(13)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3
InChIKeyJOFPGKPZJXJHTD-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate (CID 154881561) is ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate is CCOC(=O)C1Cc2ccc(F)cc2C1.
What is the InChIKey of ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is JOFPGKPZJXJHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-2-15-12(14)10-5-8-3-4-11(13)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate?
ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 208.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 154881561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).