5-ethoxy-1-methyl-2-(trifluoromethyl)indole

C12H12F3NO — CID 84630699

IUPAC5-ethoxy-1-methyl-2-(trifluoromethyl)indole
SMILESCCOc1ccc2c(c1)cc(C(F)(F)F)n2C
InChIInChI=1S/C12H12F3NO/c1-3-17-9-4-5-10-8(6-9)7-11(16(10)2)12(13,14)15/h4-7H,3H2,1-2H3
InChIKeyHGFBUFHCGOYMBO-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.60
Rot. Bonds2

About 5-ethoxy-1-methyl-2-(trifluoromethyl)indole

5-ethoxy-1-methyl-2-(trifluoromethyl)indole (PubChem CID 84630699) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-ethoxy-1-methyl-2-(trifluoromethyl)indole.

Molecular Properties

Compound Name5-ethoxy-1-methyl-2-(trifluoromethyl)indole
PubChem CID84630699
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name5-ethoxy-1-methyl-2-(trifluoromethyl)indole
SMILESCCOc1ccc2c(c1)cc(C(F)(F)F)n2C
InChIInChI=1S/C12H12F3NO/c1-3-17-9-4-5-10-8(6-9)7-11(16(10)2)12(13,14)15/h4-7H,3H2,1-2H3
InChIKeyHGFBUFHCGOYMBO-UHFFFAOYSA-N
XLogP3.60
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-methyl-2-(trifluoromethyl)indole
CID 84625236
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
2,6-diethoxyanthracene
CID 12651989
2-ethoxynaphthalene
CID 118978197
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
CID 54058185
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
6-ethoxy-3-methyl-1H-benzimidazole-2-thione
CID 760266
4-ethoxy-1-methoxy-2-(trifluoromethyl)benzene
CID 175522284
4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999648

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methyl-2-(trifluoromethyl)indole?
The IUPAC name of 5-ethoxy-1-methyl-2-(trifluoromethyl)indole (CID 84630699) is 5-ethoxy-1-methyl-2-(trifluoromethyl)indole.
What is the SMILES notation for 5-ethoxy-1-methyl-2-(trifluoromethyl)indole?
The canonical SMILES for 5-ethoxy-1-methyl-2-(trifluoromethyl)indole is CCOc1ccc2c(c1)cc(C(F)(F)F)n2C.
What is the InChIKey of 5-ethoxy-1-methyl-2-(trifluoromethyl)indole?
The InChIKey is HGFBUFHCGOYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-3-17-9-4-5-10-8(6-9)7-11(16(10)2)12(13,14)15/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethoxy-1-methyl-2-(trifluoromethyl)indole?
5-ethoxy-1-methyl-2-(trifluoromethyl)indole has a molecular weight of 243.23 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-methyl-2-(trifluoromethyl)indole is sourced from PubChem (CID 84630699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).