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

C10H7Cl2FINO — CID 170427364

IUPAC6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole
SMILESFCCOc1cc(Cl)c(Cl)c2[nH]cc(I)c12
InChIInChI=1S/C10H7Cl2FINO/c11-5-3-7(16-2-1-13)8-6(14)4-15-10(8)9(5)12/h3-4,15H,1-2H2
InChIKeyVBRZZTSJBLOXAX-UHFFFAOYSA-N
MW373.98 g/mol
LogP4.43
Rot. Bonds3

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

6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole (PubChem CID 170427364) has the molecular formula C10H7Cl2FINO and a molecular weight of 373.98 g/mol. Its IUPAC name is 6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole
PubChem CID170427364
Molecular FormulaC10H7Cl2FINO
Molecular Weight373.98 g/mol
Exact Mass372.89
IUPAC Name6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole
SMILESFCCOc1cc(Cl)c(Cl)c2[nH]cc(I)c12
InChIInChI=1S/C10H7Cl2FINO/c11-5-3-7(16-2-1-13)8-6(14)4-15-10(8)9(5)12/h3-4,15H,1-2H2
InChIKeyVBRZZTSJBLOXAX-UHFFFAOYSA-N
XLogP4.43
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.98
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-Chloro-benzyl)-[2-(3,7-dichloro-1H-indol-4-yloxy)-ethyl]-amine
CID 9799480
Benzyl-[2-(3,7-dichloro-1H-indol-4-yloxy)-ethyl]-amine
CID 9862532
[2-(3,7-Dichloro-1H-indol-4-yloxy)-ethyl]-(4-fluoro-benzyl)-amine
CID 9884884
US20230391786, Example 183
CID 170426826
US20230391786, Example 126
CID 170426882
US20230391786, Example 184
CID 170426899
2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-[(4-methylphenyl)methyl]ethanamine
CID 10545712
N-[2-[(3,7-dichloro-1H-indol-4-yl)oxy]ethyl]butan-1-amine
CID 10662008
US20230391786, Example 58
CID 170427503
6,7-Dichloro-4-ethoxy-3-(1H-pyrazol-4-yl)-1H-indole
CID 170427691
N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine
CID 11792052
3,7-dichloro-4-[3-(4-fluorophenyl)propoxy]-1H-indole
CID 17870122

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole?
The IUPAC name of 6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole (CID 170427364) is 6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole.
What is the SMILES notation for 6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole?
The canonical SMILES for 6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole is FCCOc1cc(Cl)c(Cl)c2[nH]cc(I)c12.
What is the InChIKey of 6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole?
The InChIKey is VBRZZTSJBLOXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FINO/c11-5-3-7(16-2-1-13)8-6(14)4-15-10(8)9(5)12/h3-4,15H,1-2H2.
What are the key properties of 6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole?
6,7-dichloro-4-(2-fluoroethoxy)-3-iodo-1H-indole has a molecular weight of 373.98 g/mol, XLogP of 4.43, 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)-3-iodo-1H-indole is sourced from PubChem (CID 170427364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).