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

C13H14F3NO — CID 117120930

IUPAC2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol
SMILESCCn1cc(CCO)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H14F3NO/c1-2-17-8-9(5-6-18)11-7-10(13(14,15)16)3-4-12(11)17/h3-4,7-8,18H,2,5-6H2,1H3
InChIKeyKSUDNJPPWGNYOP-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.21
Rot. Bonds3

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

2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol (PubChem CID 117120930) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol
PubChem CID117120930
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol
SMILESCCn1cc(CCO)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H14F3NO/c1-2-17-8-9(5-6-18)11-7-10(13(14,15)16)3-4-12(11)17/h3-4,7-8,18H,2,5-6H2,1H3
InChIKeyKSUDNJPPWGNYOP-UHFFFAOYSA-N
XLogP3.21
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117120954
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol
CID 117120932
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
3-ethyl-1-methoxy-5-(trifluoromethyl)indole
CID 122488025
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719775
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170867012
2-chloro-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 59426450
2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117120935
2-(5-tert-butyl-3-ethylindol-1-yl)acetic acid
CID 83945073
N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133766

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol?
The IUPAC name of 2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol (CID 117120930) is 2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol.
What is the SMILES notation for 2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol?
The canonical SMILES for 2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol is CCn1cc(CCO)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol?
The InChIKey is KSUDNJPPWGNYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-2-17-8-9(5-6-18)11-7-10(13(14,15)16)3-4-12(11)17/h3-4,7-8,18H,2,5-6H2,1H3.
What are the key properties of 2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol?
2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol has a molecular weight of 257.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol is sourced from PubChem (CID 117120930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).