N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide

C14H14Cl3NO2 — CID 102188917

IUPACN-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide
SMILESO=C(NC12CCCCC1c1ccccc1O2)C(Cl)(Cl)Cl
InChIInChI=1S/C14H14Cl3NO2/c15-14(16,17)12(19)18-13-8-4-3-6-10(13)9-5-1-2-7-11(9)20-13/h1-2,5,7,10H,3-4,6,8H2,(H,18,19)
InChIKeyAOBATUYJEWWEHG-UHFFFAOYSA-N
MW334.63 g/mol
LogP3.92
Rot. Bonds1

About N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide

N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide (PubChem CID 102188917) has the molecular formula C14H14Cl3NO2 and a molecular weight of 334.63 g/mol. Its IUPAC name is N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide
PubChem CID102188917
Molecular FormulaC14H14Cl3NO2
Molecular Weight334.63 g/mol
Exact Mass333.01
IUPAC NameN-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide
SMILESO=C(NC12CCCCC1c1ccccc1O2)C(Cl)(Cl)Cl
InChIInChI=1S/C14H14Cl3NO2/c15-14(16,17)12(19)18-13-8-4-3-6-10(13)9-5-1-2-7-11(9)20-13/h1-2,5,7,10H,3-4,6,8H2,(H,18,19)
InChIKeyAOBATUYJEWWEHG-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide?
The IUPAC name of N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide (CID 102188917) is N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide.
What is the SMILES notation for N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide?
The canonical SMILES for N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide is O=C(NC12CCCCC1c1ccccc1O2)C(Cl)(Cl)Cl.
What is the InChIKey of N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide?
The InChIKey is AOBATUYJEWWEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3NO2/c15-14(16,17)12(19)18-13-8-4-3-6-10(13)9-5-1-2-7-11(9)20-13/h1-2,5,7,10H,3-4,6,8H2,(H,18,19).
What are the key properties of N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide?
N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide has a molecular weight of 334.63 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trichloroacetamide is sourced from PubChem (CID 102188917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).