5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one

C10H8F3NO2 — CID 66511453

IUPAC5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one
SMILESN[C@H](c1ccc2c(c1)COC2=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8(14)5-1-2-7-6(3-5)4-16-9(7)15/h1-3,8H,4,14H2/t8-/m1/s1
InChIKeyUZMYBSIDNKKDDG-MRVPVSSYSA-N
MW231.17 g/mol
LogP1.92
Rot. Bonds1

About 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one

5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one (PubChem CID 66511453) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one
PubChem CID66511453
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one
SMILESN[C@H](c1ccc2c(c1)COC2=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8(14)5-1-2-7-6(3-5)4-16-9(7)15/h1-3,8H,4,14H2/t8-/m1/s1
InChIKeyUZMYBSIDNKKDDG-MRVPVSSYSA-N
XLogP1.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one (CID 66511453) is 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one is N[C@H](c1ccc2c(c1)COC2=O)C(F)(F)F.
What is the InChIKey of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one?
The InChIKey is UZMYBSIDNKKDDG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)8(14)5-1-2-7-6(3-5)4-16-9(7)15/h1-3,8H,4,14H2/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one?
5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one has a molecular weight of 231.17 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 66511453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).