(2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol

C26H19F10NO2 — CID 118014020

IUPAC(2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
SMILESO[C@H](CN1CC(Cc2cccc(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(F)c21)C(F)(F)F
InChIInChI=1S/C26H19F10NO2/c27-20-9-3-8-19-22(20)37(13-21(38)25(31,32)33)14-23(19,12-15-4-1-6-17(10-15)24(28,29)30)16-5-2-7-18(11-16)39-26(34,35)36/h1-11,21,38H,12-14H2/t21-,23?/m1/s1
InChIKeyCPMNIXXUURPALQ-FKHAVUOCSA-N
MW567.42 g/mol
LogP7.02
Rot. Bonds6

About (2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol (PubChem CID 118014020) has the molecular formula C26H19F10NO2 and a molecular weight of 567.42 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
PubChem CID118014020
Molecular FormulaC26H19F10NO2
Molecular Weight567.42 g/mol
Exact Mass567.13
IUPAC Name(2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
SMILESO[C@H](CN1CC(Cc2cccc(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(F)c21)C(F)(F)F
InChIInChI=1S/C26H19F10NO2/c27-20-9-3-8-19-22(20)37(13-21(38)25(31,32)33)14-23(19,12-15-4-1-6-17(10-15)24(28,29)30)16-5-2-7-18(11-16)39-26(34,35)36/h1-11,21,38H,12-14H2/t21-,23?/m1/s1
InChIKeyCPMNIXXUURPALQ-FKHAVUOCSA-N
XLogP7.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.42
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol with MolForge

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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
(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
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
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-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 127049872
3-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroindole
CID 118007889
methyl 3-[[3-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)-2H-indol-3-yl]methyl]benzoate
CID 123716958
ethane;methyl 3-[[3-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)-2H-indol-3-yl]methyl]benzoate
CID 144828262
3-methyl-1-[3-[[3-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)-2H-indol-3-yl]methyl]phenyl]azetidin-3-ol
CID 123710314
(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-[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
1,1,1-trifluoro-3-[5-[3-(trifluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24774927

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The IUPAC name of (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) is (2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol is O[C@H](CN1CC(Cc2cccc(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(F)c21)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The InChIKey is CPMNIXXUURPALQ-FKHAVUOCSA-N. The full InChI is InChI=1S/C26H19F10NO2/c27-20-9-3-8-19-22(20)37(13-21(38)25(31,32)33)14-23(19,12-15-4-1-6-17(10-15)24(28,29)30)16-5-2-7-18(11-16)39-26(34,35)36/h1-11,21,38H,12-14H2/t21-,23?/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol has a molecular weight of 567.42 g/mol, XLogP of 7.02, 6 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-[7-fluoro-3-[3-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-2H-indol-1-yl]propan-2-ol is sourced from PubChem (CID 118014020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).