1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole

C22H15F4NO — CID 11292068

IUPAC1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole
SMILESFc1ccc(Cn2ccc3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C22H15F4NO/c23-19-6-1-15(2-7-19)14-27-12-11-18-13-17(5-10-21(18)27)16-3-8-20(9-4-16)28-22(24,25)26/h1-13H,14H2
InChIKeyPBSXEPKPSMYACA-UHFFFAOYSA-N
MW385.36 g/mol
LogP6.39
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole

1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole (PubChem CID 11292068) has the molecular formula C22H15F4NO and a molecular weight of 385.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole
PubChem CID11292068
Molecular FormulaC22H15F4NO
Molecular Weight385.36 g/mol
Exact Mass385.11
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole
SMILESFc1ccc(Cn2ccc3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C22H15F4NO/c23-19-6-1-15(2-7-19)14-27-12-11-18-13-17(5-10-21(18)27)16-3-8-20(9-4-16)28-22(24,25)26/h1-13H,14H2
InChIKeyPBSXEPKPSMYACA-UHFFFAOYSA-N
XLogP6.39
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.36
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole (CID 11292068) is 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole is Fc1ccc(Cn2ccc3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole?
The InChIKey is PBSXEPKPSMYACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4NO/c23-19-6-1-15(2-7-19)14-27-12-11-18-13-17(5-10-21(18)27)16-3-8-20(9-4-16)28-22(24,25)26/h1-13H,14H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole?
1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole has a molecular weight of 385.36 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole is sourced from PubChem (CID 11292068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).