ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate

C11H11F2NO2 — CID 131512991

IUPACethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(F)cc(F)c2N1
InChIInChI=1S/C11H11F2NO2/c1-2-16-11(15)9-4-6-3-7(12)5-8(13)10(6)14-9/h3,5,9,14H,2,4H2,1H3
InChIKeyFSMJOZQWAPTTRV-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.86
Rot. Bonds2

About ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate

ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 131512991) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID131512991
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Nameethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(F)cc(F)c2N1
InChIInChI=1S/C11H11F2NO2/c1-2-16-11(15)9-4-6-3-7(12)5-8(13)10(6)14-9/h3,5,9,14H,2,4H2,1H3
InChIKeyFSMJOZQWAPTTRV-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate (CID 131512991) is ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate is CCOC(=O)C1Cc2cc(F)cc(F)c2N1.
What is the InChIKey of ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is FSMJOZQWAPTTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-2-16-11(15)9-4-6-3-7(12)5-8(13)10(6)14-9/h3,5,9,14H,2,4H2,1H3.
What are the key properties of ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate?
ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 227.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 131512991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).