[1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol

C12H14F3NO — CID 155936642

IUPAC[1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol
SMILESCN1CC(C)(CO)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3NO/c1-11(7-17)6-16(2)10-4-3-8(5-9(10)11)12(13,14)15/h3-5,17H,6-7H2,1-2H3
InChIKeyNILVIXJSHDJRFI-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.41
Rot. Bonds1

About [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol

[1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol (PubChem CID 155936642) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol
PubChem CID155936642
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name[1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol
SMILESCN1CC(C)(CO)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3NO/c1-11(7-17)6-16(2)10-4-3-8(5-9(10)11)12(13,14)15/h3-5,17H,6-7H2,1-2H3
InChIKeyNILVIXJSHDJRFI-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Indolin-3-yl)methanol
CID 22392033
3,3-Difluorodihydroindol-2-ol
CID 156630733
N-acetyl-2-hydroxy-3,3-dimethylindoline
CID 353186
ethyl 3-(hydroxymethyl)-3-methyl-2H-indole-1-carboxylate
CID 25108443
(3,7-Dimethyl-1,2-dihydroindol-3-yl)methanol
CID 91988086
(3,5-Dimethyl-1,2-dihydroindol-3-yl)methanol
CID 91988214
(3-methyl-1-phenyl-2H-indol-3-yl)methanol
CID 101584772
2,2,2-trifluoro-1-[(2S,3S)-2-hydroxy-2'-methylidene-1-(2,2,2-trifluoroacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 101619623
2-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol
CID 20702329
(2S,3S)-3-(2,3-dihydroindol-1-yl)-3-[3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 68904919
2-[2-[Cyclopropylmethyl(propyl)amino]-5-(trifluoromethyl)phenyl]ethanol
CID 69300565
Ethyl 2-ethyl-3-(hydroxymethyl)-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxylate
CID 69654234

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol (CID 155936642) is [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol is CN1CC(C)(CO)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol?
The InChIKey is NILVIXJSHDJRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-11(7-17)6-16(2)10-4-3-8(5-9(10)11)12(13,14)15/h3-5,17H,6-7H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol?
[1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol has a molecular weight of 245.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol is sourced from PubChem (CID 155936642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).