6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole

C12H10Cl2FNO — CID 170427366

IUPAC6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole
SMILESFC1CC(Oc2cc(Cl)c(Cl)c3[nH]ccc23)C1
InChIInChI=1S/C12H10Cl2FNO/c13-9-5-10(17-7-3-6(15)4-7)8-1-2-16-12(8)11(9)14/h1-2,5-7,16H,3-4H2
InChIKeyICLIUZNEVNFBEN-UHFFFAOYSA-N
MW274.12 g/mol
LogP4.35
Rot. Bonds2

About 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole

6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole (PubChem CID 170427366) has the molecular formula C12H10Cl2FNO and a molecular weight of 274.12 g/mol. Its IUPAC name is 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole
PubChem CID170427366
Molecular FormulaC12H10Cl2FNO
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole
SMILESFC1CC(Oc2cc(Cl)c(Cl)c3[nH]ccc23)C1
InChIInChI=1S/C12H10Cl2FNO/c13-9-5-10(17-7-3-6(15)4-7)8-1-2-16-12(8)11(9)14/h1-2,5-7,16H,3-4H2
InChIKeyICLIUZNEVNFBEN-UHFFFAOYSA-N
XLogP4.35
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole?
The IUPAC name of 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole (CID 170427366) is 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole.
What is the SMILES notation for 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole?
The canonical SMILES for 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole is FC1CC(Oc2cc(Cl)c(Cl)c3[nH]ccc23)C1.
What is the InChIKey of 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole?
The InChIKey is ICLIUZNEVNFBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FNO/c13-9-5-10(17-7-3-6(15)4-7)8-1-2-16-12(8)11(9)14/h1-2,5-7,16H,3-4H2.
What are the key properties of 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole?
6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole has a molecular weight of 274.12 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-1H-indole is sourced from PubChem (CID 170427366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).