6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine

C10H8Cl2FIN2 — CID 170427696

IUPAC6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine
SMILESFCCNc1cc(Cl)c(Cl)c2[nH]cc(I)c12
InChIInChI=1S/C10H8Cl2FIN2/c11-5-3-7(15-2-1-13)8-6(14)4-16-10(8)9(5)12/h3-4,15-16H,1-2H2
InChIKeyWRQSDIYPUXHVQS-UHFFFAOYSA-N
MW373.00 g/mol
LogP4.46
Rot. Bonds3

About 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine

6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine (PubChem CID 170427696) has the molecular formula C10H8Cl2FIN2 and a molecular weight of 373.00 g/mol. Its IUPAC name is 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine.

Molecular Properties

Compound Name6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine
PubChem CID170427696
Molecular FormulaC10H8Cl2FIN2
Molecular Weight373.00 g/mol
Exact Mass371.91
IUPAC Name6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine
SMILESFCCNc1cc(Cl)c(Cl)c2[nH]cc(I)c12
InChIInChI=1S/C10H8Cl2FIN2/c11-5-3-7(15-2-1-13)8-6(14)4-16-10(8)9(5)12/h3-4,15-16H,1-2H2
InChIKeyWRQSDIYPUXHVQS-UHFFFAOYSA-N
XLogP4.46
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.00
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,7-dichloro-1H-indole
CID 12272802
US20230391786, Example 123
CID 170426818
US20230391786, Example 122
CID 170427066
US20230391786, Example 208
CID 170427473
US20230391786, Example 188
CID 170427672
5,6-Dichloro-1H-indole
CID 10487776
6,7-Dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
CID 170427184
2-(5-chloro-6-fluoro-1H-indol-3-yl)ethan-1-amine hydrochloride
CID 21071576
2-(7-chloro-5-fluoro-1H-indol-3-yl)ethan-1-amine hydrochloride
CID 145915389
[(5,6-dichloro-1H-indol-3-yl)-phenyl-lambda3-iodanyl] trifluoromethanesulfonate
CID 177856855
2-(5,6-Dichloro-1H-indol-3-yl)ethanamine
CID 13301690
5,6-Dichlorogramine
CID 14373876

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine?
The IUPAC name of 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine (CID 170427696) is 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine.
What is the SMILES notation for 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine?
The canonical SMILES for 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine is FCCNc1cc(Cl)c(Cl)c2[nH]cc(I)c12.
What is the InChIKey of 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine?
The InChIKey is WRQSDIYPUXHVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FIN2/c11-5-3-7(15-2-1-13)8-6(14)4-16-10(8)9(5)12/h3-4,15-16H,1-2H2.
What are the key properties of 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine?
6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine has a molecular weight of 373.00 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-(2-fluoroethyl)-3-iodo-1H-indol-4-amine is sourced from PubChem (CID 170427696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).