(2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone

C16H11F2NO2 — CID 11022513

IUPAC(2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3c(F)cccc3F)cc2c1
InChIInChI=1S/C16H11F2NO2/c1-21-10-5-6-13-9(7-10)8-14(19-13)16(20)15-11(17)3-2-4-12(15)18/h2-8,19H,1H3
InChIKeyHGRDJYBYLDIVRE-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.69
Rot. Bonds3

About (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone

(2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 11022513) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID11022513
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3c(F)cccc3F)cc2c1
InChIInChI=1S/C16H11F2NO2/c1-21-10-5-6-13-9(7-10)8-14(19-13)16(20)15-11(17)3-2-4-12(15)18/h2-8,19H,1H3
InChIKeyHGRDJYBYLDIVRE-UHFFFAOYSA-N
XLogP3.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone (CID 11022513) is (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)c3c(F)cccc3F)cc2c1.
What is the InChIKey of (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is HGRDJYBYLDIVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-21-10-5-6-13-9(7-10)8-14(19-13)16(20)15-11(17)3-2-4-12(15)18/h2-8,19H,1H3.
What are the key properties of (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone?
(2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 287.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 11022513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).