N-butyl-2-fluoro-1-phenylethanimine

C12H16FN — CID 101419521

IUPACN-butyl-2-fluoro-1-phenylethanimine
SMILESCCCC/N=C(\CF)c1ccccc1
InChIInChI=1S/C12H16FN/c1-2-3-9-14-12(10-13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3/b14-12+
InChIKeyBZUHCGDEPCPFOM-WYMLVPIESA-N
MW193.27 g/mol
LogP3.25
Rot. Bonds5

About N-butyl-2-fluoro-1-phenylethanimine

N-butyl-2-fluoro-1-phenylethanimine (PubChem CID 101419521) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-butyl-2-fluoro-1-phenylethanimine.

Molecular Properties

Compound NameN-butyl-2-fluoro-1-phenylethanimine
PubChem CID101419521
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-butyl-2-fluoro-1-phenylethanimine
SMILESCCCC/N=C(\CF)c1ccccc1
InChIInChI=1S/C12H16FN/c1-2-3-9-14-12(10-13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3/b14-12+
InChIKeyBZUHCGDEPCPFOM-WYMLVPIESA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Ethanamine, N-(phenylmethylene)-
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4'-Fluoroacetophenone oxime
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1-Methyl-3,4-dihydroisoquinoline
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2-Methyl-N-(phenylmethylene)-2-propanamine
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2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701
N-Benzylidenepropylamine
CID 250250
Acetophenone, dimethylhydrazone
CID 6172446
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-fluoro-1-phenylethanimine?
The IUPAC name of N-butyl-2-fluoro-1-phenylethanimine (CID 101419521) is N-butyl-2-fluoro-1-phenylethanimine.
What is the SMILES notation for N-butyl-2-fluoro-1-phenylethanimine?
The canonical SMILES for N-butyl-2-fluoro-1-phenylethanimine is CCCC/N=C(\CF)c1ccccc1.
What is the InChIKey of N-butyl-2-fluoro-1-phenylethanimine?
The InChIKey is BZUHCGDEPCPFOM-WYMLVPIESA-N. The full InChI is InChI=1S/C12H16FN/c1-2-3-9-14-12(10-13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3/b14-12+.
What are the key properties of N-butyl-2-fluoro-1-phenylethanimine?
N-butyl-2-fluoro-1-phenylethanimine has a molecular weight of 193.27 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-fluoro-1-phenylethanimine is sourced from PubChem (CID 101419521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).