2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile

C15H6F4N2O — CID 167505529

IUPAC2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile
SMILESN#Cc1cc(Oc2c(F)c(F)c3[nH]ccc3c2F)ccc1F
InChIInChI=1S/C15H6F4N2O/c16-10-2-1-8(5-7(10)6-20)22-15-11(17)9-3-4-21-14(9)12(18)13(15)19/h1-5,21H
InChIKeyYAMZOZPUNZIDCQ-UHFFFAOYSA-N
MW306.22 g/mol
LogP4.39
Rot. Bonds2

About 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile

2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile (PubChem CID 167505529) has the molecular formula C15H6F4N2O and a molecular weight of 306.22 g/mol. Its IUPAC name is 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile
PubChem CID167505529
Molecular FormulaC15H6F4N2O
Molecular Weight306.22 g/mol
Exact Mass306.04
IUPAC Name2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile
SMILESN#Cc1cc(Oc2c(F)c(F)c3[nH]ccc3c2F)ccc1F
InChIInChI=1S/C15H6F4N2O/c16-10-2-1-8(5-7(10)6-20)22-15-11(17)9-3-4-21-14(9)12(18)13(15)19/h1-5,21H
InChIKeyYAMZOZPUNZIDCQ-UHFFFAOYSA-N
XLogP4.39
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile
CID 171078652
2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]benzonitrile
CID 171078040
5-[[4-(5-azidopentyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile
CID 174253466
5-(3-amino-2-bromo-5,6-difluoro-4-nitrophenoxy)-2-fluorobenzonitrile
CID 171077219
5-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile
CID 167505412
6,7-difluoro-1H-indole-5-carbonitrile
CID 118989891
3-[2-fluoro-3-[[2-[2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]methyl]phenyl]propanoic acid
CID 167504970
(3-cyano-4-fluorophenyl) formate
CID 174507677
2-fluoro-5-(2-formylphenoxy)benzonitrile
CID 90204991
2-fluoro-5-(1H-indol-4-yl)benzonitrile
CID 22561837
tert-butyl 3-[3-[5-(3-cyano-4-fluorophenoxy)-6-fluoro-1H-indol-4-yl]prop-2-ynoxy]propanoate
CID 171079141
2-(3,4-difluorophenoxy)-3-methylbenzonitrile
CID 107107508

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile?
The IUPAC name of 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile (CID 167505529) is 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile is N#Cc1cc(Oc2c(F)c(F)c3[nH]ccc3c2F)ccc1F.
What is the InChIKey of 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile?
The InChIKey is YAMZOZPUNZIDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F4N2O/c16-10-2-1-8(5-7(10)6-20)22-15-11(17)9-3-4-21-14(9)12(18)13(15)19/h1-5,21H.
What are the key properties of 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile?
2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile has a molecular weight of 306.22 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile is sourced from PubChem (CID 167505529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).