1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole

C16H10Br2FN — CID 162404752

IUPAC1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole
SMILESFc1ccc(-n2ccc3ccccc32)c(C=C(Br)Br)c1
InChIInChI=1S/C16H10Br2FN/c17-16(18)10-12-9-13(19)5-6-15(12)20-8-7-11-3-1-2-4-14(11)20/h1-10H
InChIKeyHHGIHPPFDNCFCI-UHFFFAOYSA-N
MW395.07 g/mol
LogP5.86
Rot. Bonds2

About 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole

1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole (PubChem CID 162404752) has the molecular formula C16H10Br2FN and a molecular weight of 395.07 g/mol. Its IUPAC name is 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole.

Molecular Properties

Compound Name1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole
PubChem CID162404752
Molecular FormulaC16H10Br2FN
Molecular Weight395.07 g/mol
Exact Mass392.92
IUPAC Name1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole
SMILESFc1ccc(-n2ccc3ccccc32)c(C=C(Br)Br)c1
InChIInChI=1S/C16H10Br2FN/c17-16(18)10-12-9-13(19)5-6-15(12)20-8-7-11-3-1-2-4-14(11)20/h1-10H
InChIKeyHHGIHPPFDNCFCI-UHFFFAOYSA-N
XLogP5.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.07
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole?
The IUPAC name of 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole (CID 162404752) is 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole.
What is the SMILES notation for 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole?
The canonical SMILES for 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole is Fc1ccc(-n2ccc3ccccc32)c(C=C(Br)Br)c1.
What is the InChIKey of 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole?
The InChIKey is HHGIHPPFDNCFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2FN/c17-16(18)10-12-9-13(19)5-6-15(12)20-8-7-11-3-1-2-4-14(11)20/h1-10H.
What are the key properties of 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole?
1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole has a molecular weight of 395.07 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dibromoethenyl)-4-fluorophenyl]indole is sourced from PubChem (CID 162404752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).