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

C15H11F2N — CID 22256904

IUPAC1-[(2,6-difluorophenyl)methyl]indole
SMILESFc1cccc(F)c1Cn1ccc2ccccc21
InChIInChI=1S/C15H11F2N/c16-13-5-3-6-14(17)12(13)10-18-9-8-11-4-1-2-7-15(11)18/h1-9H,10H2
InChIKeyAVKGQLAGDKCSOF-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.97
Rot. Bonds2

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

1-[(2,6-difluorophenyl)methyl]indole (PubChem CID 22256904) has the molecular formula C15H11F2N and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]indole.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]indole
PubChem CID22256904
Molecular FormulaC15H11F2N
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-[(2,6-difluorophenyl)methyl]indole
SMILESFc1cccc(F)c1Cn1ccc2ccccc21
InChIInChI=1S/C15H11F2N/c16-13-5-3-6-14(17)12(13)10-18-9-8-11-4-1-2-7-15(11)18/h1-9H,10H2
InChIKeyAVKGQLAGDKCSOF-UHFFFAOYSA-N
XLogP3.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,3,6-trifluorophenyl)methyl]indole
CID 22256789
2-(indol-1-ylmethyl)benzene-1,3-diamine
CID 141087878
1-[[3,5-bis(indol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]indole
CID 102177432
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
2-fluoro-3-(indol-1-ylmethyl)aniline
CID 107347629
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
1-(2-fluoroethyl)indole
CID 80694500
1-(pyrimidin-2-ylmethyl)indole
CID 63810960
2-fluoro-N-(2-indol-1-ylethyl)aniline
CID 62562125
1-[(1-methylpyridin-1-ium-4-yl)methyl]indole
CID 71418458
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
CID 82795364
1-[(2,6-difluorophenyl)methyl]-2-methylindole
CID 114934250

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]indole?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]indole (CID 22256904) is 1-[(2,6-difluorophenyl)methyl]indole.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]indole?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]indole is Fc1cccc(F)c1Cn1ccc2ccccc21.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]indole?
The InChIKey is AVKGQLAGDKCSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N/c16-13-5-3-6-14(17)12(13)10-18-9-8-11-4-1-2-7-15(11)18/h1-9H,10H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]indole?
1-[(2,6-difluorophenyl)methyl]indole has a molecular weight of 243.26 g/mol, XLogP of 3.97, 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]indole is sourced from PubChem (CID 22256904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).