2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline

C14H10Br2FN — CID 11675116

IUPAC2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline
SMILESFc1ccc(Nc2ccccc2C=C(Br)Br)cc1
InChIInChI=1S/C14H10Br2FN/c15-14(16)9-10-3-1-2-4-13(10)18-12-7-5-11(17)6-8-12/h1-9,18H
InChIKeyVHAASUMSJRGZNT-UHFFFAOYSA-N
MW371.05 g/mol
LogP5.66
Rot. Bonds3

About 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline

2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline (PubChem CID 11675116) has the molecular formula C14H10Br2FN and a molecular weight of 371.05 g/mol. Its IUPAC name is 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline
PubChem CID11675116
Molecular FormulaC14H10Br2FN
Molecular Weight371.05 g/mol
Exact Mass368.92
IUPAC Name2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline
SMILESFc1ccc(Nc2ccccc2C=C(Br)Br)cc1
InChIInChI=1S/C14H10Br2FN/c15-14(16)9-10-3-1-2-4-13(10)18-12-7-5-11(17)6-8-12/h1-9,18H
InChIKeyVHAASUMSJRGZNT-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.05
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline?
The IUPAC name of 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline (CID 11675116) is 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline?
The canonical SMILES for 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline is Fc1ccc(Nc2ccccc2C=C(Br)Br)cc1.
What is the InChIKey of 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline?
The InChIKey is VHAASUMSJRGZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FN/c15-14(16)9-10-3-1-2-4-13(10)18-12-7-5-11(17)6-8-12/h1-9,18H.
What are the key properties of 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline?
2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline has a molecular weight of 371.05 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 11675116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).