3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol

C13H14F3NO2 — CID 114733020

IUPAC3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol
SMILESCc1cccc2cc(C(O)(C(C)N)C(F)(F)F)oc12
InChIInChI=1S/C13H14F3NO2/c1-7-4-3-5-9-6-10(19-11(7)9)12(18,8(2)17)13(14,15)16/h3-6,8,18H,17H2,1-2H3
InChIKeyAFKJUANIQYYVOU-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.84
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol

3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol (PubChem CID 114733020) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol
PubChem CID114733020
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol
SMILESCc1cccc2cc(C(O)(C(C)N)C(F)(F)F)oc12
InChIInChI=1S/C13H14F3NO2/c1-7-4-3-5-9-6-10(19-11(7)9)12(18,8(2)17)13(14,15)16/h3-6,8,18H,17H2,1-2H3
InChIKeyAFKJUANIQYYVOU-UHFFFAOYSA-N
XLogP2.84
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol (CID 114733020) is 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol is Cc1cccc2cc(C(O)(C(C)N)C(F)(F)F)oc12.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol?
The InChIKey is AFKJUANIQYYVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-7-4-3-5-9-6-10(19-11(7)9)12(18,8(2)17)13(14,15)16/h3-6,8,18H,17H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol?
3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol has a molecular weight of 273.25 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol is sourced from PubChem (CID 114733020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).