5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole

C15H11F4N — CID 162560182

IUPAC5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFc1cc2c(cc1C(F)(F)F)NC(c1ccccc1)C2
InChIInChI=1S/C15H11F4N/c16-12-6-10-7-13(9-4-2-1-3-5-9)20-14(10)8-11(12)15(17,18)19/h1-6,8,13,20H,7H2
InChIKeyJTELXRMXXHRXON-UHFFFAOYSA-N
MW281.25 g/mol
LogP4.55
Rot. Bonds1

About 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole

5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 162560182) has the molecular formula C15H11F4N and a molecular weight of 281.25 g/mol. Its IUPAC name is 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID162560182
Molecular FormulaC15H11F4N
Molecular Weight281.25 g/mol
Exact Mass281.08
IUPAC Name5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFc1cc2c(cc1C(F)(F)F)NC(c1ccccc1)C2
InChIInChI=1S/C15H11F4N/c16-12-6-10-7-13(9-4-2-1-3-5-9)20-14(10)8-11(12)15(17,18)19/h1-6,8,13,20H,7H2
InChIKeyJTELXRMXXHRXON-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 162560182) is 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole is Fc1cc2c(cc1C(F)(F)F)NC(c1ccccc1)C2.
What is the InChIKey of 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is JTELXRMXXHRXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N/c16-12-6-10-7-13(9-4-2-1-3-5-9)20-14(10)8-11(12)15(17,18)19/h1-6,8,13,20H,7H2.
What are the key properties of 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 281.25 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 162560182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).