N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline

C12H13BrFN — CID 101174722

IUPACN-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline
SMILESC=CCN(CC(=C)Br)c1ccccc1F
InChIInChI=1S/C12H13BrFN/c1-3-8-15(9-10(2)13)12-7-5-4-6-11(12)14/h3-7H,1-2,8-9H2
InChIKeyDBKAYWNZOXCTAC-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.73
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline

N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline (PubChem CID 101174722) has the molecular formula C12H13BrFN and a molecular weight of 270.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline
PubChem CID101174722
Molecular FormulaC12H13BrFN
Molecular Weight270.15 g/mol
Exact Mass269.02
IUPAC NameN-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline
SMILESC=CCN(CC(=C)Br)c1ccccc1F
InChIInChI=1S/C12H13BrFN/c1-3-8-15(9-10(2)13)12-7-5-4-6-11(12)14/h3-7H,1-2,8-9H2
InChIKeyDBKAYWNZOXCTAC-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline (CID 101174722) is N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline is C=CCN(CC(=C)Br)c1ccccc1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline?
The InChIKey is DBKAYWNZOXCTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN/c1-3-8-15(9-10(2)13)12-7-5-4-6-11(12)14/h3-7H,1-2,8-9H2.
What are the key properties of N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline?
N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline has a molecular weight of 270.15 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-fluoro-N-prop-2-enylaniline is sourced from PubChem (CID 101174722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).