1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol

C15H20FNO — CID 117121037

IUPAC1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol
SMILESCC(C)n1cc(CC(C)(C)O)c2cc(F)ccc21
InChIInChI=1S/C15H20FNO/c1-10(2)17-9-11(8-15(3,4)18)13-7-12(16)5-6-14(13)17/h5-7,9-10,18H,8H2,1-4H3
InChIKeyOJMVHXDEKUFQJJ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.67
Rot. Bonds3

About 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol

1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol (PubChem CID 117121037) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol
PubChem CID117121037
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol
SMILESCC(C)n1cc(CC(C)(C)O)c2cc(F)ccc21
InChIInChI=1S/C15H20FNO/c1-10(2)17-9-11(8-15(3,4)18)13-7-12(16)5-6-14(13)17/h5-7,9-10,18H,8H2,1-4H3
InChIKeyOJMVHXDEKUFQJJ-UHFFFAOYSA-N
XLogP3.67
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol (CID 117121037) is 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol is CC(C)n1cc(CC(C)(C)O)c2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol?
The InChIKey is OJMVHXDEKUFQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10(2)17-9-11(8-15(3,4)18)13-7-12(16)5-6-14(13)17/h5-7,9-10,18H,8H2,1-4H3.
What are the key properties of 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol?
1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol has a molecular weight of 249.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117121037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).