2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol

C13H16F3NO — CID 117200631

IUPAC2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol
SMILESCN1c2ccc(C(F)(F)F)cc2CC1C(C)(C)O
InChIInChI=1S/C13H16F3NO/c1-12(2,18)11-7-8-6-9(13(14,15)16)4-5-10(8)17(11)3/h4-6,11,18H,7H2,1-3H3
InChIKeyPZFKHJDPCNHNPL-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.84
Rot. Bonds1

About 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol

2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol (PubChem CID 117200631) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol
PubChem CID117200631
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol
SMILESCN1c2ccc(C(F)(F)F)cc2CC1C(C)(C)O
InChIInChI=1S/C13H16F3NO/c1-12(2,18)11-7-8-6-9(13(14,15)16)4-5-10(8)17(11)3/h4-6,11,18H,7H2,1-3H3
InChIKeyPZFKHJDPCNHNPL-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 117200716
1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole
CID 117200637
(3S)-3-amino-1-hydroxy-6-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 53253721
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-2-ol
CID 117201154
tert-butyl (2S)-2-(hydroxymethyl)-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxylate
CID 175968709
2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
CID 117200556
O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine
CID 117202728
3-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 117200717
2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine
CID 117200697
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine
CID 84638796
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol?
The IUPAC name of 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol (CID 117200631) is 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol is CN1c2ccc(C(F)(F)F)cc2CC1C(C)(C)O.
What is the InChIKey of 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol?
The InChIKey is PZFKHJDPCNHNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2,18)11-7-8-6-9(13(14,15)16)4-5-10(8)17(11)3/h4-6,11,18H,7H2,1-3H3.
What are the key properties of 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol?
2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol has a molecular weight of 259.27 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol is sourced from PubChem (CID 117200631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).