2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C14H18F3NO2 — CID 64510371

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCC1(C)Cc2cccc(C(CO)NCC(F)(F)F)c2O1
InChIInChI=1S/C14H18F3NO2/c1-13(2)6-9-4-3-5-10(12(9)20-13)11(7-19)18-8-14(15,16)17/h3-5,11,18-19H,6-8H2,1-2H3
InChIKeyIIZLPEKXMSBFQX-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.59
Rot. Bonds4

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 64510371) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID64510371
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCC1(C)Cc2cccc(C(CO)NCC(F)(F)F)c2O1
InChIInChI=1S/C14H18F3NO2/c1-13(2)6-9-4-3-5-10(12(9)20-13)11(7-19)18-8-14(15,16)17/h3-5,11,18-19H,6-8H2,1-2H3
InChIKeyIIZLPEKXMSBFQX-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 64510371) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol is CC1(C)Cc2cccc(C(CO)NCC(F)(F)F)c2O1.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is IIZLPEKXMSBFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(2)6-9-4-3-5-10(12(9)20-13)11(7-19)18-8-14(15,16)17/h3-5,11,18-19H,6-8H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 289.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 64510371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).