2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine

C11H12F3NO — CID 54274065

IUPAC2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine
SMILESCC1(C)Cc2ccc(C(F)(F)F)c(N)c2O1
InChIInChI=1S/C11H12F3NO/c1-10(2)5-6-3-4-7(11(12,13)14)8(15)9(6)16-10/h3-4H,5,15H2,1-2H3
InChIKeyRMECCIXLIAUSQJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.00
Rot. Bonds

About 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine

2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine (PubChem CID 54274065) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine
PubChem CID54274065
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine
SMILESCC1(C)Cc2ccc(C(F)(F)F)c(N)c2O1
InChIInChI=1S/C11H12F3NO/c1-10(2)5-6-3-4-7(11(12,13)14)8(15)9(6)16-10/h3-4H,5,15H2,1-2H3
InChIKeyRMECCIXLIAUSQJ-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine?
The IUPAC name of 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine (CID 54274065) is 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine.
What is the SMILES notation for 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine?
The canonical SMILES for 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine is CC1(C)Cc2ccc(C(F)(F)F)c(N)c2O1.
What is the InChIKey of 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine?
The InChIKey is RMECCIXLIAUSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-10(2)5-6-3-4-7(11(12,13)14)8(15)9(6)16-10/h3-4H,5,15H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine?
2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine has a molecular weight of 231.22 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine is sourced from PubChem (CID 54274065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).