3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one

C13H9F6NO — CID 103309361

IUPAC3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H9F6NO/c1-6-9(7-4-2-3-5-8(7)20-6)10(21)11(12(14,15)16)13(17,18)19/h2-5,11,20H,1H3
InChIKeyJULVFDNHZHBCKY-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.40
Rot. Bonds2

About 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one (PubChem CID 103309361) has the molecular formula C13H9F6NO and a molecular weight of 309.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
PubChem CID103309361
Molecular FormulaC13H9F6NO
Molecular Weight309.21 g/mol
Exact Mass309.06
IUPAC Name3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H9F6NO/c1-6-9(7-4-2-3-5-8(7)20-6)10(21)11(12(14,15)16)13(17,18)19/h2-5,11,20H,1H3
InChIKeyJULVFDNHZHBCKY-UHFFFAOYSA-N
XLogP4.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one (CID 103309361) is 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one is Cc1[nH]c2ccccc2c1C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one?
The InChIKey is JULVFDNHZHBCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6NO/c1-6-9(7-4-2-3-5-8(7)20-6)10(21)11(12(14,15)16)13(17,18)19/h2-5,11,20H,1H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one has a molecular weight of 309.21 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103309361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).