6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole

C18H7Cl2F10N — CID 118589031

IUPAC6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
SMILESFC(F)(F)c1ccc(-c2cc3cc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2Cl)c(Cl)c1
InChIInChI=1S/C18H7Cl2F10N/c19-11-5-8(16(23,24)25)1-2-9(11)10-3-7-4-14(31-13(7)6-12(10)20)15(21,22)17(26,27)18(28,29)30/h1-6,31H
InChIKeyWXEVPSBICFJTIQ-UHFFFAOYSA-N
MW498.15 g/mol
LogP8.45
Rot. Bonds3

About 6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole

6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole (PubChem CID 118589031) has the molecular formula C18H7Cl2F10N and a molecular weight of 498.15 g/mol. Its IUPAC name is 6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole.

Molecular Properties

Compound Name6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
PubChem CID118589031
Molecular FormulaC18H7Cl2F10N
Molecular Weight498.15 g/mol
Exact Mass496.98
IUPAC Name6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
SMILESFC(F)(F)c1ccc(-c2cc3cc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2Cl)c(Cl)c1
InChIInChI=1S/C18H7Cl2F10N/c19-11-5-8(16(23,24)25)1-2-9(11)10-3-7-4-14(31-13(7)6-12(10)20)15(21,22)17(26,27)18(28,29)30/h1-6,31H
InChIKeyWXEVPSBICFJTIQ-UHFFFAOYSA-N
XLogP8.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.15
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole?
The IUPAC name of 6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole (CID 118589031) is 6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole.
What is the SMILES notation for 6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole?
The canonical SMILES for 6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole is FC(F)(F)c1ccc(-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-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole?
The InChIKey is WXEVPSBICFJTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H7Cl2F10N/c19-11-5-8(16(23,24)25)1-2-9(11)10-3-7-4-14(31-13(7)6-12(10)20)15(21,22)17(26,27)18(28,29)30/h1-6,31H.
What are the key properties of 6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole?
6-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole has a molecular weight of 498.15 g/mol, XLogP of 8.45, 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-(trifluoromethyl)phenyl]-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole is sourced from PubChem (CID 118589031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).