1-[(2,6-difluorophenyl)methyl]-2-methylindole

C16H13F2N — CID 114934250

IUPAC1-[(2,6-difluorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1c(F)cccc1F
InChIInChI=1S/C16H13F2N/c1-11-9-12-5-2-3-8-16(12)19(11)10-13-14(17)6-4-7-15(13)18/h2-9H,10H2,1H3
InChIKeyVBAFVOZIXQEUCK-UHFFFAOYSA-N
MW257.28 g/mol
LogP4.28
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-2-methylindole

1-[(2,6-difluorophenyl)methyl]-2-methylindole (PubChem CID 114934250) has the molecular formula C16H13F2N and a molecular weight of 257.28 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2-methylindole.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2-methylindole
PubChem CID114934250
Molecular FormulaC16H13F2N
Molecular Weight257.28 g/mol
Exact Mass257.10
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1c(F)cccc1F
InChIInChI=1S/C16H13F2N/c1-11-9-12-5-2-3-8-16(12)19(11)10-13-14(17)6-4-7-15(13)18/h2-9H,10H2,1H3
InChIKeyVBAFVOZIXQEUCK-UHFFFAOYSA-N
XLogP4.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2,6-difluorophenyl)methyl]-2-methylindole 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

1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
CID 114859479
3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
CID 63811278
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindole
CID 63810962
4-fluoro-3-[(2-methylindol-1-yl)methyl]benzamide
CID 63810152
1-[(2-chlorophenyl)methyl]-2-methylindole
CID 4050112
1-[(2,3-dichlorophenyl)methyl]-2-methylindole
CID 107310123
1-[(3,4-dichlorophenyl)methyl]-2-methylindole
CID 63812577
1-[(2,6-difluorophenyl)methyl]indole
CID 22256904
1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole
CID 139921602
2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054349
1-(2-ethylbutyl)-2-methylindole
CID 82925203

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-methylindole?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-methylindole (CID 114934250) is 1-[(2,6-difluorophenyl)methyl]-2-methylindole.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2-methylindole?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2-methylindole is Cc1cc2ccccc2n1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2-methylindole?
The InChIKey is VBAFVOZIXQEUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N/c1-11-9-12-5-2-3-8-16(12)19(11)10-13-14(17)6-4-7-15(13)18/h2-9H,10H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2-methylindole?
1-[(2,6-difluorophenyl)methyl]-2-methylindole has a molecular weight of 257.28 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2-methylindole is sourced from PubChem (CID 114934250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).