N-[(E)-1-fluorobut-1-enyl]propan-2-imine

C7H12FN — CID 166684433

IUPACN-[(E)-1-fluorobut-1-enyl]propan-2-imine
SMILESCC/C=C(/F)N=C(C)C
InChIInChI=1S/C7H12FN/c1-4-5-7(8)9-6(2)3/h5H,4H2,1-3H3/b7-5-
InChIKeyAJPSRAAARPQFIS-ALCCZGGFSA-N
MW129.18 g/mol
LogP2.69
Rot. Bonds2

About N-[(E)-1-fluorobut-1-enyl]propan-2-imine

N-[(E)-1-fluorobut-1-enyl]propan-2-imine (PubChem CID 166684433) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-[(E)-1-fluorobut-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-1-fluorobut-1-enyl]propan-2-imine
PubChem CID166684433
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-[(E)-1-fluorobut-1-enyl]propan-2-imine
SMILESCC/C=C(/F)N=C(C)C
InChIInChI=1S/C7H12FN/c1-4-5-7(8)9-6(2)3/h5H,4H2,1-3H3/b7-5-
InChIKeyAJPSRAAARPQFIS-ALCCZGGFSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-2-methyl-3,4-dihydropyridine
CID 89769335
N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123498177
N-[(E)-1-fluoroprop-1-enyl]propan-2-imine
CID 130215387
(Z)-N-(1-fluoroethenyl)but-3-en-2-imine
CID 143794064
(Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine
CID 143838516
(Z)-3-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine
CID 144251796
N-(3,3,3-trifluoroprop-1-en-2-yl)but-3-en-2-imine
CID 144251803
3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 163389160
3-[(E)-1-fluoroprop-1-enyl]iminobut-1-en-2-amine
CID 173988759
N-(1-fluoroethenyl)propan-2-imine
CID 143179350
N-[(Z)-but-2-en-2-yl]-3-fluorobut-3-en-2-imine
CID 168891820
Ethane;6-fluoro-2-methyl-3,4-dihydropyridine
CID 145516053

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-fluorobut-1-enyl]propan-2-imine?
The IUPAC name of N-[(E)-1-fluorobut-1-enyl]propan-2-imine (CID 166684433) is N-[(E)-1-fluorobut-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(E)-1-fluorobut-1-enyl]propan-2-imine?
The canonical SMILES for N-[(E)-1-fluorobut-1-enyl]propan-2-imine is CC/C=C(/F)N=C(C)C.
What is the InChIKey of N-[(E)-1-fluorobut-1-enyl]propan-2-imine?
The InChIKey is AJPSRAAARPQFIS-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-5-7(8)9-6(2)3/h5H,4H2,1-3H3/b7-5-.
What are the key properties of N-[(E)-1-fluorobut-1-enyl]propan-2-imine?
N-[(E)-1-fluorobut-1-enyl]propan-2-imine has a molecular weight of 129.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-fluorobut-1-enyl]propan-2-imine is sourced from PubChem (CID 166684433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).