2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid

C16H20F3NO2 — CID 117200716

IUPAC2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
SMILESCC(C)N1c2ccc(C(F)(F)F)cc2CC1C(C)(C)C(=O)O
InChIInChI=1S/C16H20F3NO2/c1-9(2)20-12-6-5-11(16(17,18)19)7-10(12)8-13(20)15(3,4)14(21)22/h5-7,9,13H,8H2,1-4H3,(H,21,22)
InChIKeyBXPFWGHMHUSRLR-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.96
Rot. Bonds3

About 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid

2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid (PubChem CID 117200716) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
PubChem CID117200716
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
SMILESCC(C)N1c2ccc(C(F)(F)F)cc2CC1C(C)(C)C(=O)O
InChIInChI=1S/C16H20F3NO2/c1-9(2)20-12-6-5-11(16(17,18)19)7-10(12)8-13(20)15(3,4)14(21)22/h5-7,9,13H,8H2,1-4H3,(H,21,22)
InChIKeyBXPFWGHMHUSRLR-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid (CID 117200716) is 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid is CC(C)N1c2ccc(C(F)(F)F)cc2CC1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid?
The InChIKey is BXPFWGHMHUSRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-9(2)20-12-6-5-11(16(17,18)19)7-10(12)8-13(20)15(3,4)14(21)22/h5-7,9,13H,8H2,1-4H3,(H,21,22).
What are the key properties of 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid?
2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid has a molecular weight of 315.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid is sourced from PubChem (CID 117200716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).