6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile

C17H10F4N2O — CID 91467582

IUPAC6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile
SMILESN#Cc1cc(F)cc2cn(Cc3ccc(C(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C17H10F4N2O/c18-14-5-11(7-22)15-12(6-14)9-23(16(15)24)8-10-1-3-13(4-2-10)17(19,20)21/h1-6,9,24H,8H2
InChIKeyVQOZAPORSGCYKM-UHFFFAOYSA-N
MW334.27 g/mol
LogP4.42
Rot. Bonds2

About 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile

6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile (PubChem CID 91467582) has the molecular formula C17H10F4N2O and a molecular weight of 334.27 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile
PubChem CID91467582
Molecular FormulaC17H10F4N2O
Molecular Weight334.27 g/mol
Exact Mass334.07
IUPAC Name6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile
SMILESN#Cc1cc(F)cc2cn(Cc3ccc(C(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C17H10F4N2O/c18-14-5-11(7-22)15-12(6-14)9-23(16(15)24)8-10-1-3-13(4-2-10)17(19,20)21/h1-6,9,24H,8H2
InChIKeyVQOZAPORSGCYKM-UHFFFAOYSA-N
XLogP4.42
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile?
The IUPAC name of 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile (CID 91467582) is 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile.
What is the SMILES notation for 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile?
The canonical SMILES for 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile is N#Cc1cc(F)cc2cn(Cc3ccc(C(F)(F)F)cc3)c(O)c12.
What is the InChIKey of 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile?
The InChIKey is VQOZAPORSGCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O/c18-14-5-11(7-22)15-12(6-14)9-23(16(15)24)8-10-1-3-13(4-2-10)17(19,20)21/h1-6,9,24H,8H2.
What are the key properties of 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile?
6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile has a molecular weight of 334.27 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-4-carbonitrile is sourced from PubChem (CID 91467582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).