3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole

C16H11F4N — CID 84819945

IUPAC3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole
SMILESFc1ccccc1-c1cn(CC(F)(F)F)c2ccccc12
InChIInChI=1S/C16H11F4N/c17-14-7-3-1-5-11(14)13-9-21(10-16(18,19)20)15-8-4-2-6-12(13)15/h1-9H,10H2
InChIKeyJNLRAKFXCFUSDW-UHFFFAOYSA-N
MW293.26 g/mol
LogP5.01
Rot. Bonds2

About 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole

3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole (PubChem CID 84819945) has the molecular formula C16H11F4N and a molecular weight of 293.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole
PubChem CID84819945
Molecular FormulaC16H11F4N
Molecular Weight293.26 g/mol
Exact Mass293.08
IUPAC Name3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole
SMILESFc1ccccc1-c1cn(CC(F)(F)F)c2ccccc12
InChIInChI=1S/C16H11F4N/c17-14-7-3-1-5-11(14)13-9-21(10-16(18,19)20)15-8-4-2-6-12(13)15/h1-9H,10H2
InChIKeyJNLRAKFXCFUSDW-UHFFFAOYSA-N
XLogP5.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.26
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole?
The IUPAC name of 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole (CID 84819945) is 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole?
The canonical SMILES for 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole is Fc1ccccc1-c1cn(CC(F)(F)F)c2ccccc12.
What is the InChIKey of 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole?
The InChIKey is JNLRAKFXCFUSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N/c17-14-7-3-1-5-11(14)13-9-21(10-16(18,19)20)15-8-4-2-6-12(13)15/h1-9H,10H2.
What are the key properties of 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole?
3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole has a molecular weight of 293.26 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole is sourced from PubChem (CID 84819945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).