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

C27H21F10NO3 — CID 91669216

IUPAC(2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)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)C(F)F)c2)c2ccccc21)C(F)(F)F
InChIInChI=1S/C27H21F10NO3/c28-23(29)26(33,34)40-19-8-4-6-17(12-19)24(13-16-5-3-7-18(11-16)41-27(35,36)37)15-38(14-22(39)25(30,31)32)21-10-2-1-9-20(21)24/h1-12,22-23,39H,13-15H2/t22-,24?/m1/s1
InChIKeyIUMDPNCJJBBRSR-LETIRJCYSA-N
MW597.45 g/mol
LogP7.09
Rot. Bonds9

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

(2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol (PubChem CID 91669216) has the molecular formula C27H21F10NO3 and a molecular weight of 597.45 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
PubChem CID91669216
Molecular FormulaC27H21F10NO3
Molecular Weight597.45 g/mol
Exact Mass597.14
IUPAC Name(2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)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)C(F)F)c2)c2ccccc21)C(F)(F)F
InChIInChI=1S/C27H21F10NO3/c28-23(29)26(33,34)40-19-8-4-6-17(12-19)24(13-16-5-3-7-18(11-16)41-27(35,36)37)15-38(14-22(39)25(30,31)32)21-10-2-1-9-20(21)24/h1-12,22-23,39H,13-15H2/t22-,24?/m1/s1
InChIKeyIUMDPNCJJBBRSR-LETIRJCYSA-N
XLogP7.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.45
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)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

Related Compounds

(R)-1,1,1-trifluoro-3-((3-phenoxyphenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)propan-2-ol
CID 9806102
3-((3-Phenoxyphenyl)((3-(1,1,2,2-tetrafluoroethoxy)phenyl)methyl)amino)-1,1,1-trifluoro-2-propanol
CID 9870704
1,1,1-Trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(p-tolyloxy)phenyl)amino)propan-2-ol
CID 9806610
1,1,1-Trifluoro-3-((3-(3-isopropylphenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)propan-2-ol
CID 9828869
1,1,1-Trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-(trifluoromethyl)benzyloxy)phenyl)amino)propan-2-ol
CID 9916392
(S)-1,1,1-trifluoro-3-((3-phenoxyphenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)propan-2-ol
CID 9935853
3-((3-(1,1,2,2-Tetrafluoroethoxy)benzyl)(3-(3-ethylphenoxy)phenyl)amino)-1,1,1-trifluoropropan-2-ol
CID 9936855
3-((3-(3,5-Dimethylphenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)-1,1,1-trifluoropropan-2-ol
CID 10119293
1,1,1-Trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl)amino)propan-2-ol
CID 10120284
3-((3-(1,1,2,2-Tetrafluoroethoxy)benzyl)(3-(cyclohexylmethoxy)phenyl)amino)-1,1,1-trifluoropropan-2-ol
CID 10142885
3-((3-(1,1,2,2-Tetrafluoroethoxy)benzyl)(3-(3-tert-butylphenoxy)phenyl)amino)-1,1,1-trifluoropropan-2-ol
CID 10144277
1,1,1-Trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(m-tolyloxy)phenyl)amino)propan-2-ol
CID 10164805

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol (CID 91669216) is (2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)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-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)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)C(F)F)c2)c2ccccc21)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
The InChIKey is IUMDPNCJJBBRSR-LETIRJCYSA-N. The full InChI is InChI=1S/C27H21F10NO3/c28-23(29)26(33,34)40-19-8-4-6-17(12-19)24(13-16-5-3-7-18(11-16)41-27(35,36)37)15-38(14-22(39)25(30,31)32)21-10-2-1-9-20(21)24/h1-12,22-23,39H,13-15H2/t22-,24?/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol has a molecular weight of 597.45 g/mol, XLogP of 7.09, 9 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-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol is sourced from PubChem (CID 91669216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).