1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol

C23H22F7NO2 — CID 10238831

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(F)(F)F)ccc2[nH]1)C(F)(F)F
InChIInChI=1S/C23H22F7NO2/c1-20(2,17-10-15(24)5-7-19(17)33-3)12-21(32,23(28,29)30)11-16-9-13-8-14(22(25,26)27)4-6-18(13)31-16/h4-10,31-32H,11-12H2,1-3H3
InChIKeyHGNYBRFKHNQBPB-UHFFFAOYSA-N
MW477.42 g/mol
LogP6.54
Rot. Bonds6

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol (PubChem CID 10238831) has the molecular formula C23H22F7NO2 and a molecular weight of 477.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
PubChem CID10238831
Molecular FormulaC23H22F7NO2
Molecular Weight477.42 g/mol
Exact Mass477.15
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(F)(F)F)ccc2[nH]1)C(F)(F)F
InChIInChI=1S/C23H22F7NO2/c1-20(2,17-10-15(24)5-7-19(17)33-3)12-21(32,23(28,29)30)11-16-9-13-8-14(22(25,26)27)4-6-18(13)31-16/h4-10,31-32H,11-12H2,1-3H3
InChIKeyHGNYBRFKHNQBPB-UHFFFAOYSA-N
XLogP6.54
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.42
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-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

3,8-Dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano(3,2-a)carbazol-9-ol
CID 375148
(R)-Mahanine
CID 375151
2-methoxy-3-methyl-9H-carbazole
CID 11052947
1H-2-(2-Methoxyphenyl)indole
CID 901191
2-(4-Hydroxy-3,5-dimethylphenyl)-5-methoxy-3-methylindole
CID 128480
3-(5-(Amino(iminio)methyl)-1H-indol-2-YL)-5-methoxy-1,1'-biphenyl-2-olate
CID 447492
Pyrano[2,3-b]carbazol-8-ol, 2,10-dihydro-2,2,7-trimethyl-
CID 375149
Murrayanol
CID 9975970
2-{4-[3-Fluoro-2-(2-Methoxyphenyl)-1h-Indol-5-Yl] Piperidin-1-Yl}-N-Methylethanamine
CID 46867603
Euchrestine B
CID 15060943
Murrayamine A
CID 10085008
2-[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-5-carbonitrile
CID 57392781

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol (CID 10238831) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(F)(F)F)ccc2[nH]1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol?
The InChIKey is HGNYBRFKHNQBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F7NO2/c1-20(2,17-10-15(24)5-7-19(17)33-3)12-21(32,23(28,29)30)11-16-9-13-8-14(22(25,26)27)4-6-18(13)31-16/h4-10,31-32H,11-12H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol has a molecular weight of 477.42 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol is sourced from PubChem (CID 10238831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).