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

Analyze 1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547133
(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114819754
1-(6-fluoro-1-methylindol-3-yl)ethanone
CID 16751568
2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone
CID 116546935
(1,6-dimethylindol-3-yl)-(2-methylfuran-3-yl)methanone
CID 116546982
(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547071
(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
butyl 1,6-dimethylindole-3-carboxylate
CID 135059388
(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547045
1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one
CID 168925957
1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206853
(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone
CID 116546989

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).