(2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol

C13H16F3NO2 — CID 86815269

IUPAC(2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol
SMILESCOC[C@H](O)CN1CCc2c1cccc2C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-19-8-9(18)7-17-6-5-10-11(13(14,15)16)3-2-4-12(10)17/h2-4,9,18H,5-8H2,1H3/t9-/m1/s1
InChIKeyZETODFGRWCVGKC-SECBINFHSA-N
MW275.27 g/mol
LogP2.08
Rot. Bonds4

About (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol

(2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol (PubChem CID 86815269) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol
PubChem CID86815269
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol
SMILESCOC[C@H](O)CN1CCc2c1cccc2C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-19-8-9(18)7-17-6-5-10-11(13(14,15)16)3-2-4-12(10)17/h2-4,9,18H,5-8H2,1H3/t9-/m1/s1
InChIKeyZETODFGRWCVGKC-SECBINFHSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 84600007
1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one
CID 86791202
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 106990763
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol
CID 112706609
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
CID 107264145
1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 106992074
1-(2,3-dihydroindol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 138959504
methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 71888209
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 3350158
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959492
1-[4-[(2R)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 94488286

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol (CID 86815269) is (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol is COC[C@H](O)CN1CCc2c1cccc2C(F)(F)F.
What is the InChIKey of (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol?
The InChIKey is ZETODFGRWCVGKC-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-19-8-9(18)7-17-6-5-10-11(13(14,15)16)3-2-4-12(10)17/h2-4,9,18H,5-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol?
(2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol has a molecular weight of 275.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol is sourced from PubChem (CID 86815269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).