5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane

C19H18F3N — CID 156816458

IUPAC5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane
SMILESCC1CCC1.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1
InChIInChI=1S/C14H8F3N.C5H10/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;1-5-3-2-4-5/h1-7,18H;5H,2-4H2,1H3
InChIKeyOXISJUNQASWFGB-UHFFFAOYSA-N
MW317.35 g/mol
LogP6.06
Rot. Bonds1

About 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane

5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane (PubChem CID 156816458) has the molecular formula C19H18F3N and a molecular weight of 317.35 g/mol. Its IUPAC name is 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane.

Molecular Properties

Compound Name5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane
PubChem CID156816458
Molecular FormulaC19H18F3N
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane
SMILESCC1CCC1.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1
InChIInChI=1S/C14H8F3N.C5H10/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;1-5-3-2-4-5/h1-7,18H;5H,2-4H2,1H3
InChIKeyOXISJUNQASWFGB-UHFFFAOYSA-N
XLogP6.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane?
The IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane (CID 156816458) is 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane.
What is the SMILES notation for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane?
The canonical SMILES for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane is CC1CCC1.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.
What is the InChIKey of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane?
The InChIKey is OXISJUNQASWFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C5H10/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;1-5-3-2-4-5/h1-7,18H;5H,2-4H2,1H3.
What are the key properties of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane?
5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane has a molecular weight of 317.35 g/mol, XLogP of 6.06, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole;methylcyclobutane is sourced from PubChem (CID 156816458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).