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

C14H14F3NO2 — CID 10935000

IUPACN-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC12CCCCC1c1ccccc1O2)C(F)(F)F
InChIInChI=1S/C14H14F3NO2/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)
InChIKeyNGNSNXBWBIMBCE-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.11
Rot. Bonds1

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

N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide (PubChem CID 10935000) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide
PubChem CID10935000
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC NameN-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC12CCCCC1c1ccccc1O2)C(F)(F)F
InChIInChI=1S/C14H14F3NO2/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)
InChIKeyNGNSNXBWBIMBCE-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-trifluoroacetamide?
The IUPAC name of N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide (CID 10935000) is N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide is O=C(NC12CCCCC1c1ccccc1O2)C(F)(F)F.
What is the InChIKey of N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide?
The InChIKey is NGNSNXBWBIMBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/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-trifluoroacetamide?
N-(2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl)-2,2,2-trifluoroacetamide has a molecular weight of 285.26 g/mol, XLogP of 3.11, 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-trifluoroacetamide is sourced from PubChem (CID 10935000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).