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

C10H7Cl2F2NO — CID 170426567

IUPAC6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole
SMILESFC(F)COc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C10H7Cl2F2NO/c11-6-3-7(16-4-8(13)14)5-1-2-15-10(5)9(6)12/h1-3,8,15H,4H2
InChIKeyCCWLNBOOSPSOMY-UHFFFAOYSA-N
MW266.07 g/mol
LogP4.12
Rot. Bonds3

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

6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole (PubChem CID 170426567) has the molecular formula C10H7Cl2F2NO and a molecular weight of 266.07 g/mol. Its IUPAC name is 6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole
PubChem CID170426567
Molecular FormulaC10H7Cl2F2NO
Molecular Weight266.07 g/mol
Exact Mass264.99
IUPAC Name6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole
SMILESFC(F)COc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C10H7Cl2F2NO/c11-6-3-7(16-4-8(13)14)5-1-2-15-10(5)9(6)12/h1-3,8,15H,4H2
InChIKeyCCWLNBOOSPSOMY-UHFFFAOYSA-N
XLogP4.12
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 54.12
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-(2,2-difluoroethoxy)-1H-indole?
The IUPAC name of 6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole (CID 170426567) is 6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole.
What is the SMILES notation for 6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole?
The canonical SMILES for 6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole is FC(F)COc1cc(Cl)c(Cl)c2[nH]ccc12.
What is the InChIKey of 6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole?
The InChIKey is CCWLNBOOSPSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F2NO/c11-6-3-7(16-4-8(13)14)5-1-2-15-10(5)9(6)12/h1-3,8,15H,4H2.
What are the key properties of 6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole?
6,7-dichloro-4-(2,2-difluoroethoxy)-1H-indole has a molecular weight of 266.07 g/mol, XLogP of 4.12, 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)-1H-indole is sourced from PubChem (CID 170426567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).