(2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol

C26H19F10NO3 — CID 118014260

IUPAC(2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
SMILESO[C@H](CN1CC(Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cc(F)ccc21)C(F)(F)F
InChIInChI=1S/C26H19F10NO3/c27-17-7-8-21-20(11-17)23(14-37(21)13-22(38)24(28,29)30,16-4-2-6-19(10-16)40-26(34,35)36)12-15-3-1-5-18(9-15)39-25(31,32)33/h1-11,22,38H,12-14H2/t22-,23?/m1/s1
InChIKeyCJTGSEVWNBXHJF-WTQRLHSKSA-N
MW583.42 g/mol
LogP6.89
Rot. Bonds7

About (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol (PubChem CID 118014260) has the molecular formula C26H19F10NO3 and a molecular weight of 583.42 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
PubChem CID118014260
Molecular FormulaC26H19F10NO3
Molecular Weight583.42 g/mol
Exact Mass583.12
IUPAC Name(2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
SMILESO[C@H](CN1CC(Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cc(F)ccc21)C(F)(F)F
InChIInChI=1S/C26H19F10NO3/c27-17-7-8-21-20(11-17)23(14-37(21)13-22(38)24(28,29)30,16-4-2-6-19(10-16)40-26(34,35)36)12-15-3-1-5-18(9-15)39-25(31,32)33/h1-11,22,38H,12-14H2/t22-,23?/m1/s1
InChIKeyCJTGSEVWNBXHJF-WTQRLHSKSA-N
XLogP6.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.42
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol (CID 118014260) is (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol is O[C@H](CN1CC(Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cc(F)ccc21)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The InChIKey is CJTGSEVWNBXHJF-WTQRLHSKSA-N. The full InChI is InChI=1S/C26H19F10NO3/c27-17-7-8-21-20(11-17)23(14-37(21)13-22(38)24(28,29)30,16-4-2-6-19(10-16)40-26(34,35)36)12-15-3-1-5-18(9-15)39-25(31,32)33/h1-11,22,38H,12-14H2/t22-,23?/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol has a molecular weight of 583.42 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[5-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol is sourced from PubChem (CID 118014260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).