1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol

C15H18F3NO — CID 117120932

IUPAC1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol
SMILESCCn1cc(CC(C)(C)O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H18F3NO/c1-4-19-9-10(8-14(2,3)20)12-7-11(15(16,17)18)5-6-13(12)19/h5-7,9,20H,4,8H2,1-3H3
InChIKeyFCCWJKDVIJSHRI-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.99
Rot. Bonds3

About 1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol

1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol (PubChem CID 117120932) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol
PubChem CID117120932
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol
SMILESCCn1cc(CC(C)(C)O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H18F3NO/c1-4-19-9-10(8-14(2,3)20)12-7-11(15(16,17)18)5-6-13(12)19/h5-7,9,20H,4,8H2,1-3H3
InChIKeyFCCWJKDVIJSHRI-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-5-(trifluoromethyl)indol-3-yl]ethanol
CID 117120930
2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117120935
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117120954
2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117122078
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine
CID 117195467
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942
2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 117195432
1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol
CID 117119655
1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol
CID 117121023
3-ethyl-1-methoxy-5-(trifluoromethyl)indole
CID 122488025
1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol
CID 117197676
2-(5-tert-butyl-3-ethylindol-1-yl)acetic acid
CID 83945073

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol (CID 117120932) is 1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol is CCn1cc(CC(C)(C)O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol?
The InChIKey is FCCWJKDVIJSHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-4-19-9-10(8-14(2,3)20)12-7-11(15(16,17)18)5-6-13(12)19/h5-7,9,20H,4,8H2,1-3H3.
What are the key properties of 1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol?
1-[1-ethyl-5-(trifluoromethyl)indol-3-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-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 117120932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).