1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol

C15H18F3NO — CID 117196587

IUPAC1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol
SMILESCCn1c(CC(C)(C)O)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H18F3NO/c1-4-19-11(9-14(2,3)20)8-10-6-5-7-12(13(10)19)15(16,17)18/h5-8,20H,4,9H2,1-3H3
InChIKeyXCCKAGDWSDNVDQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.99
Rot. Bonds3

About 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol

1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol (PubChem CID 117196587) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol
PubChem CID117196587
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol
SMILESCCn1c(CC(C)(C)O)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H18F3NO/c1-4-19-11(9-14(2,3)20)8-10-6-5-7-12(13(10)19)15(16,17)18/h5-8,20H,4,9H2,1-3H3
InChIKeyXCCKAGDWSDNVDQ-UHFFFAOYSA-N
XLogP3.99
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine
CID 117196600
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine
CID 117196602
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
2-(1-ethyl-2-methylindol-7-yl)-2-methylpropanoic acid
CID 117205210
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
1-(1-ethylindol-7-yl)-2-methylpropan-2-ol
CID 115115004
2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196565
N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117196610
2-[1-ethyl-7-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 117197367
1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
CID 117196585
1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol
CID 117184262

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol (CID 117196587) is 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol is CCn1c(CC(C)(C)O)cc2cccc(C(F)(F)F)c21.
What is the InChIKey of 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol?
The InChIKey is XCCKAGDWSDNVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-4-19-11(9-14(2,3)20)8-10-6-5-7-12(13(10)19)15(16,17)18/h5-8,20H,4,9H2,1-3H3.
What are the key properties of 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol?
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol has a molecular weight of 285.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 117196587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).