2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol

C16H20F3NO — CID 117120935

IUPAC2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol
SMILESCC(C)n1cc(CC(C)(C)O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H20F3NO/c1-10(2)20-9-11(8-15(3,4)21)13-7-12(16(17,18)19)5-6-14(13)20/h5-7,9-10,21H,8H2,1-4H3
InChIKeyHEGPJTOYVANALD-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.55
Rot. Bonds3

About 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol

2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol (PubChem CID 117120935) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol
PubChem CID117120935
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol
SMILESCC(C)n1cc(CC(C)(C)O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H20F3NO/c1-10(2)20-9-11(8-15(3,4)21)13-7-12(16(17,18)19)5-6-14(13)20/h5-7,9-10,21H,8H2,1-4H3
InChIKeyHEGPJTOYVANALD-UHFFFAOYSA-N
XLogP4.55
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol (CID 117120935) is 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol is CC(C)n1cc(CC(C)(C)O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol?
The InChIKey is HEGPJTOYVANALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-10(2)20-9-11(8-15(3,4)21)13-7-12(16(17,18)19)5-6-14(13)20/h5-7,9-10,21H,8H2,1-4H3.
What are the key properties of 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol?
2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol has a molecular weight of 299.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol is sourced from PubChem (CID 117120935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).