methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate

C16H12FNO2 — CID 73292130

IUPACmethyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H12FNO2/c1-20-16(19)14-12-8-7-11(17)9-13(12)18-15(14)10-5-3-2-4-6-10/h2-9,18H,1H3
InChIKeySBWUJVNBAXJXQE-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.76
Rot. Bonds2

About methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate

methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate (PubChem CID 73292130) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate
PubChem CID73292130
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Namemethyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H12FNO2/c1-20-16(19)14-12-8-7-11(17)9-13(12)18-15(14)10-5-3-2-4-6-10/h2-9,18H,1H3
InChIKeySBWUJVNBAXJXQE-UHFFFAOYSA-N
XLogP3.76
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate (CID 73292130) is methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate is COC(=O)c1c(-c2ccccc2)[nH]c2cc(F)ccc12.
What is the InChIKey of methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate?
The InChIKey is SBWUJVNBAXJXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-20-16(19)14-12-8-7-11(17)9-13(12)18-15(14)10-5-3-2-4-6-10/h2-9,18H,1H3.
What are the key properties of methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate?
methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-phenyl-1H-indole-3-carboxylate is sourced from PubChem (CID 73292130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).