2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile

C16H10ClF5N2O — CID 162383352

IUPAC2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile
SMILESN#Cc1cc(-n2cc(C(F)(F)F)c3c2CCC(F)(F)C3O)ccc1Cl
InChIInChI=1S/C16H10ClF5N2O/c17-11-2-1-9(5-8(11)6-23)24-7-10(16(20,21)22)13-12(24)3-4-15(18,19)14(13)25/h1-2,5,7,14,25H,3-4H2
InChIKeyMAPWVLGAYPAROJ-UHFFFAOYSA-N
MW376.71 g/mol
LogP4.64
Rot. Bonds1

About 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile

2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile (PubChem CID 162383352) has the molecular formula C16H10ClF5N2O and a molecular weight of 376.71 g/mol. Its IUPAC name is 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile
PubChem CID162383352
Molecular FormulaC16H10ClF5N2O
Molecular Weight376.71 g/mol
Exact Mass376.04
IUPAC Name2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile
SMILESN#Cc1cc(-n2cc(C(F)(F)F)c3c2CCC(F)(F)C3O)ccc1Cl
InChIInChI=1S/C16H10ClF5N2O/c17-11-2-1-9(5-8(11)6-23)24-7-10(16(20,21)22)13-12(24)3-4-15(18,19)14(13)25/h1-2,5,7,14,25H,3-4H2
InChIKeyMAPWVLGAYPAROJ-UHFFFAOYSA-N
XLogP4.64
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.71
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

US20250042853, Example 27
CID 168252448
US20250042853, Example 28
CID 168252473
US20250042853, Example 41
CID 168252498
US20250042853, Example 107
CID 168252503
US20250042853, Example 46
CID 168252509
US20250042853, Example 40
CID 168252521
US20250042853, Example 49
CID 168252522
US20250042853, Example 72
CID 168252524
3-(2-Chloropyridin-3-yl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 22012106
5-[2-(2,4-Dichlorophenyl)-4,4,4-trifluoro-1-hydroxybutyl]pyridine-2-carbonitrile
CID 67023772
5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile
CID 121377552
2-fluoro-5-[(4S)-5-fluoro-4-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]benzonitrile
CID 162383326

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile?
The IUPAC name of 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile (CID 162383352) is 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile.
What is the SMILES notation for 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile?
The canonical SMILES for 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile is N#Cc1cc(-n2cc(C(F)(F)F)c3c2CCC(F)(F)C3O)ccc1Cl.
What is the InChIKey of 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile?
The InChIKey is MAPWVLGAYPAROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF5N2O/c17-11-2-1-9(5-8(11)6-23)24-7-10(16(20,21)22)13-12(24)3-4-15(18,19)14(13)25/h1-2,5,7,14,25H,3-4H2.
What are the key properties of 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile?
2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile has a molecular weight of 376.71 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile is sourced from PubChem (CID 162383352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).