2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone

C10H10Cl3NO — CID 67016154

IUPAC2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone
SMILESO=C(c1cc2c([nH]1)CCCC2)C(Cl)(Cl)Cl
InChIInChI=1S/C10H10Cl3NO/c11-10(12,13)9(15)8-5-6-3-1-2-4-7(6)14-8/h5,14H,1-4H2
InChIKeyNNFGBZPUPIKCAT-UHFFFAOYSA-N
MW266.55 g/mol
LogP3.45
Rot. Bonds1

About 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone

2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone (PubChem CID 67016154) has the molecular formula C10H10Cl3NO and a molecular weight of 266.55 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone
PubChem CID67016154
Molecular FormulaC10H10Cl3NO
Molecular Weight266.55 g/mol
Exact Mass264.98
IUPAC Name2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone
SMILESO=C(c1cc2c([nH]1)CCCC2)C(Cl)(Cl)Cl
InChIInChI=1S/C10H10Cl3NO/c11-10(12,13)9(15)8-5-6-3-1-2-4-7(6)14-8/h5,14H,1-4H2
InChIKeyNNFGBZPUPIKCAT-UHFFFAOYSA-N
XLogP3.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone?
The IUPAC name of 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone (CID 67016154) is 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone is O=C(c1cc2c([nH]1)CCCC2)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone?
The InChIKey is NNFGBZPUPIKCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c11-10(12,13)9(15)8-5-6-3-1-2-4-7(6)14-8/h5,14H,1-4H2.
What are the key properties of 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone?
2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone has a molecular weight of 266.55 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone is sourced from PubChem (CID 67016154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).