1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole

C20H7F8N — CID 174458324

IUPAC1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole
SMILESFc1cc(-c2c(F)c(F)c(-n3ccc4ccccc43)c(F)c2F)c(F)c(F)c1F
InChIInChI=1S/C20H7F8N/c21-10-7-9(13(22)17(26)14(10)23)12-15(24)18(27)20(19(28)16(12)25)29-6-5-8-3-1-2-4-11(8)29/h1-7H
InChIKeyGSSKUYBRCVZNNP-UHFFFAOYSA-N
MW413.27 g/mol
LogP6.41
Rot. Bonds2

About 1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole

1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole (PubChem CID 174458324) has the molecular formula C20H7F8N and a molecular weight of 413.27 g/mol. Its IUPAC name is 1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole.

Molecular Properties

Compound Name1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole
PubChem CID174458324
Molecular FormulaC20H7F8N
Molecular Weight413.27 g/mol
Exact Mass413.05
IUPAC Name1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole
SMILESFc1cc(-c2c(F)c(F)c(-n3ccc4ccccc43)c(F)c2F)c(F)c(F)c1F
InChIInChI=1S/C20H7F8N/c21-10-7-9(13(22)17(26)14(10)23)12-15(24)18(27)20(19(28)16(12)25)29-6-5-8-3-1-2-4-11(8)29/h1-7H
InChIKeyGSSKUYBRCVZNNP-UHFFFAOYSA-N
XLogP6.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.27
LogP ≤ 56.41
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-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole?
The IUPAC name of 1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole (CID 174458324) is 1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole.
What is the SMILES notation for 1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole?
The canonical SMILES for 1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole is Fc1cc(-c2c(F)c(F)c(-n3ccc4ccccc43)c(F)c2F)c(F)c(F)c1F.
What is the InChIKey of 1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole?
The InChIKey is GSSKUYBRCVZNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H7F8N/c21-10-7-9(13(22)17(26)14(10)23)12-15(24)18(27)20(19(28)16(12)25)29-6-5-8-3-1-2-4-11(8)29/h1-7H.
What are the key properties of 1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole?
1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole has a molecular weight of 413.27 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole is sourced from PubChem (CID 174458324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).