(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone

C16H10F3NO — CID 65101248

IUPAC(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3c(F)cc(F)cc3F)c2c1
InChIInChI=1S/C16H10F3NO/c1-8-2-3-14-10(4-8)11(7-20-14)16(21)15-12(18)5-9(17)6-13(15)19/h2-7,20H,1H3
InChIKeyCDZISDVOXHHZQY-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.12
Rot. Bonds2

About (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone

(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 65101248) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
PubChem CID65101248
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3c(F)cc(F)cc3F)c2c1
InChIInChI=1S/C16H10F3NO/c1-8-2-3-14-10(4-8)11(7-20-14)16(21)15-12(18)5-9(17)6-13(15)19/h2-7,20H,1H3
InChIKeyCDZISDVOXHHZQY-UHFFFAOYSA-N
XLogP4.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(2-bromo-6-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 114558734
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 107123712
(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 81454697
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(2,4-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338550
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone (CID 65101248) is (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone is Cc1ccc2[nH]cc(C(=O)c3c(F)cc(F)cc3F)c2c1.
What is the InChIKey of (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is CDZISDVOXHHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c1-8-2-3-14-10(4-8)11(7-20-14)16(21)15-12(18)5-9(17)6-13(15)19/h2-7,20H,1H3.
What are the key properties of (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone?
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 289.26 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 65101248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).