1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol

C23H25F4NO2 — CID 10310063

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C)c2[nH]1)C(F)(F)F
InChIInChI=1S/C23H25F4NO2/c1-14-6-5-7-15-10-17(28-20(14)15)12-22(29,23(25,26)27)13-21(2,3)18-11-16(24)8-9-19(18)30-4/h5-11,28-29H,12-13H2,1-4H3
InChIKeyAXAIJGRNQQORMC-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.83
Rot. Bonds6

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol (PubChem CID 10310063) has the molecular formula C23H25F4NO2 and a molecular weight of 423.45 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol
PubChem CID10310063
Molecular FormulaC23H25F4NO2
Molecular Weight423.45 g/mol
Exact Mass423.18
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C)c2[nH]1)C(F)(F)F
InChIInChI=1S/C23H25F4NO2/c1-14-6-5-7-15-10-17(28-20(14)15)12-22(29,23(25,26)27)13-21(2,3)18-11-16(24)8-9-19(18)30-4/h5-11,28-29H,12-13H2,1-4H3
InChIKeyAXAIJGRNQQORMC-UHFFFAOYSA-N
XLogP5.83
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol (CID 10310063) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-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-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C)c2[nH]1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol?
The InChIKey is AXAIJGRNQQORMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4NO2/c1-14-6-5-7-15-10-17(28-20(14)15)12-22(29,23(25,26)27)13-21(2,3)18-11-16(24)8-9-19(18)30-4/h5-11,28-29H,12-13H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol has a molecular weight of 423.45 g/mol, XLogP of 5.83, 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-[(7-methyl-1H-indol-2-yl)methyl]pentan-2-ol is sourced from PubChem (CID 10310063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).