6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole

C10H6Cl2F2INO — CID 170427716

IUPAC6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole
SMILESFC(F)COc1cc(Cl)c(Cl)c2[nH]cc(I)c12
InChIInChI=1S/C10H6Cl2F2INO/c11-4-1-6(17-3-7(13)14)8-5(15)2-16-10(8)9(4)12/h1-2,7,16H,3H2
InChIKeyPCLHHXOUSXJJTJ-UHFFFAOYSA-N
MW391.97 g/mol
LogP4.72
Rot. Bonds3

About 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole

6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole (PubChem CID 170427716) has the molecular formula C10H6Cl2F2INO and a molecular weight of 391.97 g/mol. Its IUPAC name is 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole
PubChem CID170427716
Molecular FormulaC10H6Cl2F2INO
Molecular Weight391.97 g/mol
Exact Mass390.88
IUPAC Name6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole
SMILESFC(F)COc1cc(Cl)c(Cl)c2[nH]cc(I)c12
InChIInChI=1S/C10H6Cl2F2INO/c11-4-1-6(17-3-7(13)14)8-5(15)2-16-10(8)9(4)12/h1-2,7,16H,3H2
InChIKeyPCLHHXOUSXJJTJ-UHFFFAOYSA-N
XLogP4.72
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole?
The IUPAC name of 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole (CID 170427716) is 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole.
What is the SMILES notation for 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole?
The canonical SMILES for 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole is FC(F)COc1cc(Cl)c(Cl)c2[nH]cc(I)c12.
What is the InChIKey of 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole?
The InChIKey is PCLHHXOUSXJJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2INO/c11-4-1-6(17-3-7(13)14)8-5(15)2-16-10(8)9(4)12/h1-2,7,16H,3H2.
What are the key properties of 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole?
6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole has a molecular weight of 391.97 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-(2,2-difluoroethoxy)-3-iodo-1H-indole is sourced from PubChem (CID 170427716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).