2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine

C12H15BrFN — CID 102322177

IUPAC2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
SMILESCC(C)/N=C(\c1ccccc1)C(C)(F)Br
InChIInChI=1S/C12H15BrFN/c1-9(2)15-11(12(3,13)14)10-7-5-4-6-8-10/h4-9H,1-3H3/b15-11+
InChIKeyKQRSEWBKXIWLND-RVDMUPIBSA-N
MW272.16 g/mol
LogP3.96
Rot. Bonds3

About 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine

2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine (PubChem CID 102322177) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine.

Molecular Properties

Compound Name2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
PubChem CID102322177
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
SMILESCC(C)/N=C(\c1ccccc1)C(C)(F)Br
InChIInChI=1S/C12H15BrFN/c1-9(2)15-11(12(3,13)14)10-7-5-4-6-8-10/h4-9H,1-3H3/b15-11+
InChIKeyKQRSEWBKXIWLND-RVDMUPIBSA-N
XLogP3.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-methylethanimine
CID 88225013
5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 102142893
(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 135081127
N-Methyl-1-phenylethan-1-imine
CID 576474
1-(4-fluorophenyl)-N-propan-2-ylmethanimine
CID 11457877
2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
CID 12869998
N-(3-bromo-2-fluoro-2-methylpropyl)-1-phenylmethanimine
CID 16081897
N-(3-bromo-2-fluoro-2-methylpropyl)-1-(4-methylphenyl)methanimine
CID 16083936
2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 25214294
N-methylbenzenecarboximidoyl fluoride
CID 85954359
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
N-butyl-2-fluoro-1-phenylethanimine
CID 101419521

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
The IUPAC name of 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine (CID 102322177) is 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine.
What is the SMILES notation for 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
The canonical SMILES for 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine is CC(C)/N=C(\c1ccccc1)C(C)(F)Br.
What is the InChIKey of 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
The InChIKey is KQRSEWBKXIWLND-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-9(2)15-11(12(3,13)14)10-7-5-4-6-8-10/h4-9H,1-3H3/b15-11+.
What are the key properties of 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine has a molecular weight of 272.16 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine is sourced from PubChem (CID 102322177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).