1-(2,3,4,5-tetrafluorophenyl)indole

C14H7F4N — CID 22638233

IUPAC1-(2,3,4,5-tetrafluorophenyl)indole
SMILESFc1cc(-n2ccc3ccccc32)c(F)c(F)c1F
InChIInChI=1S/C14H7F4N/c15-9-7-11(13(17)14(18)12(9)16)19-6-5-8-3-1-2-4-10(8)19/h1-7H
InChIKeyCMPSNNGJGGMVIV-UHFFFAOYSA-N
MW265.21 g/mol
LogP4.19
Rot. Bonds1

About 1-(2,3,4,5-tetrafluorophenyl)indole

1-(2,3,4,5-tetrafluorophenyl)indole (PubChem CID 22638233) has the molecular formula C14H7F4N and a molecular weight of 265.21 g/mol. Its IUPAC name is 1-(2,3,4,5-tetrafluorophenyl)indole.

Molecular Properties

Compound Name1-(2,3,4,5-tetrafluorophenyl)indole
PubChem CID22638233
Molecular FormulaC14H7F4N
Molecular Weight265.21 g/mol
Exact Mass265.05
IUPAC Name1-(2,3,4,5-tetrafluorophenyl)indole
SMILESFc1cc(-n2ccc3ccccc32)c(F)c(F)c1F
InChIInChI=1S/C14H7F4N/c15-9-7-11(13(17)14(18)12(9)16)19-6-5-8-3-1-2-4-10(8)19/h1-7H
InChIKeyCMPSNNGJGGMVIV-UHFFFAOYSA-N
XLogP4.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetrafluorophenyl)indole?
The IUPAC name of 1-(2,3,4,5-tetrafluorophenyl)indole (CID 22638233) is 1-(2,3,4,5-tetrafluorophenyl)indole.
What is the SMILES notation for 1-(2,3,4,5-tetrafluorophenyl)indole?
The canonical SMILES for 1-(2,3,4,5-tetrafluorophenyl)indole is Fc1cc(-n2ccc3ccccc32)c(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5-tetrafluorophenyl)indole?
The InChIKey is CMPSNNGJGGMVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4N/c15-9-7-11(13(17)14(18)12(9)16)19-6-5-8-3-1-2-4-10(8)19/h1-7H.
What are the key properties of 1-(2,3,4,5-tetrafluorophenyl)indole?
1-(2,3,4,5-tetrafluorophenyl)indole has a molecular weight of 265.21 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetrafluorophenyl)indole is sourced from PubChem (CID 22638233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).