2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile

C19H15F3N2O — CID 174993086

IUPAC2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile
SMILESCC(C)c1cc2c(Oc3ccc(C(F)(F)F)cc3)ccc(C#N)c2[nH]1
InChIInChI=1S/C19H15F3N2O/c1-11(2)16-9-15-17(8-3-12(10-23)18(15)24-16)25-14-6-4-13(5-7-14)19(20,21)22/h3-9,11,24H,1-2H3
InChIKeyBGGYUJUYPIJKRZ-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.97
Rot. Bonds3

About 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile

2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile (PubChem CID 174993086) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile
PubChem CID174993086
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile
SMILESCC(C)c1cc2c(Oc3ccc(C(F)(F)F)cc3)ccc(C#N)c2[nH]1
InChIInChI=1S/C19H15F3N2O/c1-11(2)16-9-15-17(8-3-12(10-23)18(15)24-16)25-14-6-4-13(5-7-14)19(20,21)22/h3-9,11,24H,1-2H3
InChIKeyBGGYUJUYPIJKRZ-UHFFFAOYSA-N
XLogP5.97
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine
CID 174993371
2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile
CID 175588176
4-bromo-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 114902415
2-(4-nitrophenoxy)-5-(trifluoromethyl)benzonitrile
CID 23344653
2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide
CID 166208993
4-[2-amino-4-(trifluoromethyl)phenoxy]-2-methylbenzonitrile
CID 82000455
2-methyl-4-[4-(trifluoromethyl)phenyl]sulfanyl-1H-indole-7-carbonitrile
CID 175588173
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(1-hydroxypropan-2-yloxy)benzonitrile
CID 70567304
3-methyl-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 107107494
ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile
CID 155713235
4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile
CID 135373744
2-methoxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 67980772

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile?
The IUPAC name of 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile (CID 174993086) is 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile.
What is the SMILES notation for 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile?
The canonical SMILES for 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile is CC(C)c1cc2c(Oc3ccc(C(F)(F)F)cc3)ccc(C#N)c2[nH]1.
What is the InChIKey of 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile?
The InChIKey is BGGYUJUYPIJKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-11(2)16-9-15-17(8-3-12(10-23)18(15)24-16)25-14-6-4-13(5-7-14)19(20,21)22/h3-9,11,24H,1-2H3.
What are the key properties of 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile?
2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile has a molecular weight of 344.34 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile is sourced from PubChem (CID 174993086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).