(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone

C17H12F3NO — CID 170857099

IUPAC(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H12F3NO/c1-21-10-13(11-6-3-5-9-15(11)21)16(22)12-7-2-4-8-14(12)17(18,19)20/h2-10H,1H3
InChIKeyBMFNQXMCTDBTSG-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.43
Rot. Bonds2

About (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone

(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 170857099) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID170857099
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Name(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H12F3NO/c1-21-10-13(11-6-3-5-9-15(11)21)16(22)12-7-2-4-8-14(12)17(18,19)20/h2-10H,1H3
InChIKeyBMFNQXMCTDBTSG-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857137
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 170857353
1-methylindole-3-carbothioic S-acid
CID 116918837
(2-methylfuran-3-yl)-(1-methylindol-3-yl)methanone
CID 43463456
(1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 19036951
chloro 1-methylindole-3-carboxylate
CID 69132264
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
CID 81111128
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide
CID 134009766
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 170857099) is (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone is Cn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is BMFNQXMCTDBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c1-21-10-13(11-6-3-5-9-15(11)21)16(22)12-7-2-4-8-14(12)17(18,19)20/h2-10H,1H3.
What are the key properties of (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 303.28 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 170857099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).