2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

C13H16F3NO2 — CID 62491984

IUPAC2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-7-4-8-9(17-11(18)13(14,15)16)5-12(2,3)6-10(8)19-7/h4,9H,5-6H2,1-3H3,(H,17,18)
InChIKeyFAEXQXYQYOUDJX-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.28
Rot. Bonds1

About 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (PubChem CID 62491984) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
PubChem CID62491984
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-7-4-8-9(17-11(18)13(14,15)16)5-12(2,3)6-10(8)19-7/h4,9H,5-6H2,1-3H3,(H,17,18)
InChIKeyFAEXQXYQYOUDJX-UHFFFAOYSA-N
XLogP3.28
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (CID 62491984) is 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The InChIKey is FAEXQXYQYOUDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-7-4-8-9(17-11(18)13(14,15)16)5-12(2,3)6-10(8)19-7/h4,9H,5-6H2,1-3H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide has a molecular weight of 275.27 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 62491984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).