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

C17H12F2N2O2 — CID 171078652

IUPAC2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile
SMILESN#Cc1cc(Oc2c(F)cc3[nH]ccc3c2CCO)ccc1F
InChIInChI=1S/C17H12F2N2O2/c18-14-2-1-11(7-10(14)9-20)23-17-13(4-6-22)12-3-5-21-16(12)8-15(17)19/h1-3,5,7-8,21-22H,4,6H2
InChIKeyBWUMYJLDWRSNGY-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.64
Rot. Bonds4

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

2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile (PubChem CID 171078652) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile
PubChem CID171078652
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile
SMILESN#Cc1cc(Oc2c(F)cc3[nH]ccc3c2CCO)ccc1F
InChIInChI=1S/C17H12F2N2O2/c18-14-2-1-11(7-10(14)9-20)23-17-13(4-6-22)12-3-5-21-16(12)8-15(17)19/h1-3,5,7-8,21-22H,4,6H2
InChIKeyBWUMYJLDWRSNGY-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzonitrile
CID 167505412
2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile
CID 167505529
tert-butyl 3-[3-[5-(3-cyano-4-fluorophenoxy)-6-fluoro-1H-indol-4-yl]prop-2-ynoxy]propanoate
CID 171079141
5-[[4-(2,2-difluoroethyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 167504472
5-[[4-(azidomethyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 171076713
1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone
CID 171078931
2-fluoro-5-(2-hydroxyethyl)benzonitrile
CID 83390737
methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate
CID 167504860
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107708789
5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole
CID 167505847

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile?
The IUPAC name of 2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile (CID 171078652) is 2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile is N#Cc1cc(Oc2c(F)cc3[nH]ccc3c2CCO)ccc1F.
What is the InChIKey of 2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile?
The InChIKey is BWUMYJLDWRSNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c18-14-2-1-11(7-10(14)9-20)23-17-13(4-6-22)12-3-5-21-16(12)8-15(17)19/h1-3,5,7-8,21-22H,4,6H2.
What are the key properties of 2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile?
2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile has a molecular weight of 314.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile is sourced from PubChem (CID 171078652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).