1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone

C12H11F2NO — CID 103513702

IUPAC1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
SMILESCc1ccc2c(C(=O)C(F)F)cn(C)c2c1
InChIInChI=1S/C12H11F2NO/c1-7-3-4-8-9(11(16)12(13)14)6-15(2)10(8)5-7/h3-6,12H,1-2H3
InChIKeyQEMAXDFEBBBJNM-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.93
Rot. Bonds2

About 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone

1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone (PubChem CID 103513702) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
PubChem CID103513702
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
SMILESCc1ccc2c(C(=O)C(F)F)cn(C)c2c1
InChIInChI=1S/C12H11F2NO/c1-7-3-4-8-9(11(16)12(13)14)6-15(2)10(8)5-7/h3-6,12H,1-2H3
InChIKeyQEMAXDFEBBBJNM-UHFFFAOYSA-N
XLogP2.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone (CID 103513702) is 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone is Cc1ccc2c(C(=O)C(F)F)cn(C)c2c1.
What is the InChIKey of 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone?
The InChIKey is QEMAXDFEBBBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-7-3-4-8-9(11(16)12(13)14)6-15(2)10(8)5-7/h3-6,12H,1-2H3.
What are the key properties of 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone?
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone has a molecular weight of 223.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone is sourced from PubChem (CID 103513702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).