ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate

C17H14FNO2 — CID 4777848

IUPACethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C17H14FNO2/c1-2-21-17(20)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,19H,2H2,1H3
InChIKeyXBBONQKRNZIXTH-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.15
Rot. Bonds3

About ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate

ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate (PubChem CID 4777848) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate
PubChem CID4777848
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Nameethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C17H14FNO2/c1-2-21-17(20)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,19H,2H2,1H3
InChIKeyXBBONQKRNZIXTH-UHFFFAOYSA-N
XLogP4.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate (CID 4777848) is ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate?
The InChIKey is XBBONQKRNZIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-2-21-17(20)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,19H,2H2,1H3.
What are the key properties of ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate?
ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate has a molecular weight of 283.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-3-phenyl-1H-indole-2-carboxylate is sourced from PubChem (CID 4777848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).