6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole

C17H11ClF5N — CID 158149969

IUPAC6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole
SMILESCc1ccc(-c2cc3c(cc2Cl)N=C(C(F)(F)C(F)(F)F)C3)cc1
InChIInChI=1S/C17H11ClF5N/c1-9-2-4-10(5-3-9)12-6-11-7-15(16(19,20)17(21,22)23)24-14(11)8-13(12)18/h2-6,8H,7H2,1H3
InChIKeyUFAMAVHHJUYZIZ-UHFFFAOYSA-N
MW359.73 g/mol
LogP6.14
Rot. Bonds2

About 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole

6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole (PubChem CID 158149969) has the molecular formula C17H11ClF5N and a molecular weight of 359.73 g/mol. Its IUPAC name is 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole.

Molecular Properties

Compound Name6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole
PubChem CID158149969
Molecular FormulaC17H11ClF5N
Molecular Weight359.73 g/mol
Exact Mass359.05
IUPAC Name6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole
SMILESCc1ccc(-c2cc3c(cc2Cl)N=C(C(F)(F)C(F)(F)F)C3)cc1
InChIInChI=1S/C17H11ClF5N/c1-9-2-4-10(5-3-9)12-6-11-7-15(16(19,20)17(21,22)23)24-14(11)8-13(12)18/h2-6,8H,7H2,1H3
InChIKeyUFAMAVHHJUYZIZ-UHFFFAOYSA-N
XLogP6.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.73
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole 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

6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 123142379
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole
CID 59364977
5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
CID 159546280
disodium;6-chloro-5-(4-chlorophenyl)-2-(trifluoromethylsulfanyl)-3H-indole;6-chloro-5-iodo-2-(trifluoromethylsulfanyl)-3H-indole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
CID 160682303
5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole
CID 162038595
dichloro(difluoro)methane;1,4-xylene
CID 161479390
4-(2-chloro-4-methylphenyl)pyridine
CID 46317056
2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
CID 130359097
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole
CID 166805679
2,7-dimethyl-3,4-dihydroquinoline
CID 59458325

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole?
The IUPAC name of 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole (CID 158149969) is 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole.
What is the SMILES notation for 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole?
The canonical SMILES for 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole is Cc1ccc(-c2cc3c(cc2Cl)N=C(C(F)(F)C(F)(F)F)C3)cc1.
What is the InChIKey of 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole?
The InChIKey is UFAMAVHHJUYZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF5N/c1-9-2-4-10(5-3-9)12-6-11-7-15(16(19,20)17(21,22)23)24-14(11)8-13(12)18/h2-6,8H,7H2,1H3.
What are the key properties of 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole?
6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole has a molecular weight of 359.73 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole is sourced from PubChem (CID 158149969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).