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

C18H10Cl2F7N — CID 118593011

IUPAC6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
SMILESCc1ccc(-c2cc3cc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl2F7N/c1-8-2-3-10(12(19)4-8)11-5-9-6-15(28-14(9)7-13(11)20)16(21,22)17(23,24)18(25,26)27/h2-7,28H,1H3
InChIKeyQJXVVPBCSURYRD-UHFFFAOYSA-N
MW444.18 g/mol
LogP7.74
Rot. Bonds3

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

6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole (PubChem CID 118593011) has the molecular formula C18H10Cl2F7N and a molecular weight of 444.18 g/mol. Its IUPAC name is 6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole.

Molecular Properties

Compound Name6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
PubChem CID118593011
Molecular FormulaC18H10Cl2F7N
Molecular Weight444.18 g/mol
Exact Mass443.01
IUPAC Name6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
SMILESCc1ccc(-c2cc3cc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl2F7N/c1-8-2-3-10(12(19)4-8)11-5-9-6-15(28-14(9)7-13(11)20)16(21,22)17(23,24)18(25,26)27/h2-7,28H,1H3
InChIKeyQJXVVPBCSURYRD-UHFFFAOYSA-N
XLogP7.74
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.18
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole 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-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole?
The IUPAC name of 6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole (CID 118593011) is 6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole.
What is the SMILES notation for 6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole?
The canonical SMILES for 6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole is Cc1ccc(-c2cc3cc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2Cl)c(Cl)c1.
What is the InChIKey of 6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole?
The InChIKey is QJXVVPBCSURYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F7N/c1-8-2-3-10(12(19)4-8)11-5-9-6-15(28-14(9)7-13(11)20)16(21,22)17(23,24)18(25,26)27/h2-7,28H,1H3.
What are the key properties of 6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole?
6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole has a molecular weight of 444.18 g/mol, XLogP of 7.74, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole is sourced from PubChem (CID 118593011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).