2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone

C10H6F3NO — CID 589126

IUPAC2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H
InChIKeyLCMDCXWSHDFQKP-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.91
Rot. Bonds1

About 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone

2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone (PubChem CID 589126) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
PubChem CID589126
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H
InChIKeyLCMDCXWSHDFQKP-UHFFFAOYSA-N
XLogP2.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone (CID 589126) is 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone is O=C(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?
The InChIKey is LCMDCXWSHDFQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H.
What are the key properties of 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?
2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone has a molecular weight of 213.16 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 589126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).