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

C10H8Cl2FNO — CID 170427749

IUPAC6,7-dichloro-4-(2-fluoroethoxy)-1H-indole
SMILESFCCOc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C10H8Cl2FNO/c11-7-5-8(15-4-2-13)6-1-3-14-10(6)9(7)12/h1,3,5,14H,2,4H2
InChIKeyXTRNCBABZOZQME-UHFFFAOYSA-N
MW248.08 g/mol
LogP3.82
Rot. Bonds3

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

6,7-dichloro-4-(2-fluoroethoxy)-1H-indole (PubChem CID 170427749) has the molecular formula C10H8Cl2FNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 6,7-dichloro-4-(2-fluoroethoxy)-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-4-(2-fluoroethoxy)-1H-indole
PubChem CID170427749
Molecular FormulaC10H8Cl2FNO
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name6,7-dichloro-4-(2-fluoroethoxy)-1H-indole
SMILESFCCOc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C10H8Cl2FNO/c11-7-5-8(15-4-2-13)6-1-3-14-10(6)9(7)12/h1,3,5,14H,2,4H2
InChIKeyXTRNCBABZOZQME-UHFFFAOYSA-N
XLogP3.82
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 53.82
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-fluoroethoxy)-1H-indole?
The IUPAC name of 6,7-dichloro-4-(2-fluoroethoxy)-1H-indole (CID 170427749) is 6,7-dichloro-4-(2-fluoroethoxy)-1H-indole.
What is the SMILES notation for 6,7-dichloro-4-(2-fluoroethoxy)-1H-indole?
The canonical SMILES for 6,7-dichloro-4-(2-fluoroethoxy)-1H-indole is FCCOc1cc(Cl)c(Cl)c2[nH]ccc12.
What is the InChIKey of 6,7-dichloro-4-(2-fluoroethoxy)-1H-indole?
The InChIKey is XTRNCBABZOZQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO/c11-7-5-8(15-4-2-13)6-1-3-14-10(6)9(7)12/h1,3,5,14H,2,4H2.
What are the key properties of 6,7-dichloro-4-(2-fluoroethoxy)-1H-indole?
6,7-dichloro-4-(2-fluoroethoxy)-1H-indole has a molecular weight of 248.08 g/mol, XLogP of 3.82, 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-fluoroethoxy)-1H-indole is sourced from PubChem (CID 170427749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).