methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate

C12H12F3NO3 — CID 7304772

IUPACmethyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate
SMILESCOC(=O)[C@](O)(c1cccc2c1NCC2)C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-19-10(17)11(18,12(13,14)15)8-4-2-3-7-5-6-16-9(7)8/h2-4,16,18H,5-6H2,1H3/t11-/m1/s1
InChIKeyBYYGLHYUZDIQTI-LLVKDONJSA-N
MW275.23 g/mol
LogP1.58
Rot. Bonds2

About methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate

methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate (PubChem CID 7304772) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate
PubChem CID7304772
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Namemethyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate
SMILESCOC(=O)[C@](O)(c1cccc2c1NCC2)C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-19-10(17)11(18,12(13,14)15)8-4-2-3-7-5-6-16-9(7)8/h2-4,16,18H,5-6H2,1H3/t11-/m1/s1
InChIKeyBYYGLHYUZDIQTI-LLVKDONJSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate (CID 7304772) is methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate is COC(=O)[C@](O)(c1cccc2c1NCC2)C(F)(F)F.
What is the InChIKey of methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate?
The InChIKey is BYYGLHYUZDIQTI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-19-10(17)11(18,12(13,14)15)8-4-2-3-7-5-6-16-9(7)8/h2-4,16,18H,5-6H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate?
methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate has a molecular weight of 275.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate is sourced from PubChem (CID 7304772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).