(2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol

C20H19F6NO2 — CID 127049872

IUPAC(2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
SMILESCC1(Cc2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H19F6NO2/c1-18(10-13-5-4-6-14(9-13)29-20(24,25)26)12-27(11-17(28)19(21,22)23)16-8-3-2-7-15(16)18/h2-9,17,28H,10-12H2,1H3/t17-,18?/m1/s1
InChIKeyVSHONSLXSFZVIG-QNSVNVJESA-N
MW419.37 g/mol
LogP4.83
Rot. Bonds5

About (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol (PubChem CID 127049872) has the molecular formula C20H19F6NO2 and a molecular weight of 419.37 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
PubChem CID127049872
Molecular FormulaC20H19F6NO2
Molecular Weight419.37 g/mol
Exact Mass419.13
IUPAC Name(2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
SMILESCC1(Cc2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H19F6NO2/c1-18(10-13-5-4-6-14(9-13)29-20(24,25)26)12-27(11-17(28)19(21,22)23)16-8-3-2-7-15(16)18/h2-9,17,28H,10-12H2,1H3/t17-,18?/m1/s1
InChIKeyVSHONSLXSFZVIG-QNSVNVJESA-N
XLogP4.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3-bromophenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 123784785
carbon dioxide;(2R)-1,1,1-trifluoro-3-[3-[4-methyl-3-(2-methylphenyl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 158023663
(2R)-3-[3-[[3-(3,3-difluoropyrrolidin-1-yl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 118014524
1,1,1-trifluoro-3-[3-[3-(2-methanidylmorpholin-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 123177910
(2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 118014020
(2R)-3-[2-[3,5-bis(trifluoromethyl)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 154488408
(2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 71532271
trifluoromethoxybenzene;(2S)-1,1,1-trifluoro-3-[8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 143581538
3-methyl-1-[3-[[3-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)-2H-indol-3-yl]methyl]phenyl]azetidin-3-ol
CID 123710314
3-[2-(2,5-dimethylpyrazol-3-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 78101111
(2S)-1,1,1-trifluoro-3-[8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 143581539
(2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 161115983

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol (CID 127049872) is (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol is CC1(Cc2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The InChIKey is VSHONSLXSFZVIG-QNSVNVJESA-N. The full InChI is InChI=1S/C20H19F6NO2/c1-18(10-13-5-4-6-14(9-13)29-20(24,25)26)12-27(11-17(28)19(21,22)23)16-8-3-2-7-15(16)18/h2-9,17,28H,10-12H2,1H3/t17-,18?/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol has a molecular weight of 419.37 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol is sourced from PubChem (CID 127049872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).