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

C24H24F7NO — CID 89311699

IUPAC4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
SMILESCCc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(F)(F)F)ccc2[nH]1)C(F)(F)F
InChIInChI=1S/C24H24F7NO/c1-4-14-5-7-17(25)11-19(14)21(2,3)13-22(33,24(29,30)31)12-18-10-15-9-16(23(26,27)28)6-8-20(15)32-18/h5-11,32-33H,4,12-13H2,1-3H3
InChIKeyYUSKHTZJZYMDAM-UHFFFAOYSA-N
MW475.45 g/mol
LogP7.09
Rot. Bonds6

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

4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol (PubChem CID 89311699) has the molecular formula C24H24F7NO and a molecular weight of 475.45 g/mol. Its IUPAC name is 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol.

Molecular Properties

Compound Name4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
PubChem CID89311699
Molecular FormulaC24H24F7NO
Molecular Weight475.45 g/mol
Exact Mass475.17
IUPAC Name4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
SMILESCCc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(F)(F)F)ccc2[nH]1)C(F)(F)F
InChIInChI=1S/C24H24F7NO/c1-4-14-5-7-17(25)11-19(14)21(2,3)13-22(33,24(29,30)31)12-18-10-15-9-16(23(26,27)28)6-8-20(15)32-18/h5-11,32-33H,4,12-13H2,1-3H3
InChIKeyYUSKHTZJZYMDAM-UHFFFAOYSA-N
XLogP7.09
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.45
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[6-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
CID 89311700
2-[4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 118723171
[2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indol-5-yl] methyl carbonate
CID 69372020
4-fluoro-2-[(4R)-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-yl]phenol
CID 46937290
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol
CID 71146381
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol
CID 71146383
1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117195228
2-[4-[(5-ethylsulfonyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-5-fluorobenzamide;phosphoric acid
CID 75294960
[2-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indol-6-yl] methyl carbonate
CID 87801108
N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide
CID 143024655
1,1,1-trifluoro-4-(4-fluoro-2-methylsulfonylphenyl)-4-methyl-2-[(5-propan-2-ylsulfonyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
CID 44545483
(2R)-1,1,1-trifluoro-4-(4-fluoro-2-methylsulfonylphenyl)-4-methyl-2-[(5-methylsulfinyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
CID 70940223

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol?
The IUPAC name of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol (CID 89311699) is 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol.
What is the SMILES notation for 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol?
The canonical SMILES for 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol is CCc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(F)(F)F)ccc2[nH]1)C(F)(F)F.
What is the InChIKey of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol?
The InChIKey is YUSKHTZJZYMDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F7NO/c1-4-14-5-7-17(25)11-19(14)21(2,3)13-22(33,24(29,30)31)12-18-10-15-9-16(23(26,27)28)6-8-20(15)32-18/h5-11,32-33H,4,12-13H2,1-3H3.
What are the key properties of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol?
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol has a molecular weight of 475.45 g/mol, XLogP of 7.09, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol is sourced from PubChem (CID 89311699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).