N-[(E)-2-fluoroprop-1-enyl]butan-2-imine

C7H12FN — CID 142207587

IUPACN-[(E)-2-fluoroprop-1-enyl]butan-2-imine
SMILESCC/C(C)=N/C=C(\C)F
InChIInChI=1S/C7H12FN/c1-4-7(3)9-5-6(2)8/h5H,4H2,1-3H3/b6-5+,9-7+
InChIKeyBHOUXMOGHRAVCU-SBIWHPGTSA-N
MW129.18 g/mol
LogP2.69
Rot. Bonds2

About N-[(E)-2-fluoroprop-1-enyl]butan-2-imine

N-[(E)-2-fluoroprop-1-enyl]butan-2-imine (PubChem CID 142207587) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-[(E)-2-fluoroprop-1-enyl]butan-2-imine.

Molecular Properties

Compound NameN-[(E)-2-fluoroprop-1-enyl]butan-2-imine
PubChem CID142207587
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-[(E)-2-fluoroprop-1-enyl]butan-2-imine
SMILESCC/C(C)=N/C=C(\C)F
InChIInChI=1S/C7H12FN/c1-4-7(3)9-5-6(2)8/h5H,4H2,1-3H3/b6-5+,9-7+
InChIKeyBHOUXMOGHRAVCU-SBIWHPGTSA-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'}

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Related Compounds

N-(2-fluoroprop-1-enyl)propan-2-imine
CID 123753423
N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine
CID 138660737
5-Fluoro-2-methyl-3,4-dihydropyridine
CID 143745504
1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine
CID 143956271
N-[(1E)-2-fluorobuta-1,3-dienyl]propan-2-imine
CID 144406111
N-[(Z)-2-fluoroprop-1-enyl]propan-2-imine
CID 145271369
2-ethyl-4-fluoro-3H-pyrrole
CID 146392883
1,1,1-trifluoro-N-(2-methylprop-1-enyl)propan-2-imine
CID 147871841
N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine
CID 152952815
N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine
CID 142996717
1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 142996728
N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine
CID 168972303

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoroprop-1-enyl]butan-2-imine?
The IUPAC name of N-[(E)-2-fluoroprop-1-enyl]butan-2-imine (CID 142207587) is N-[(E)-2-fluoroprop-1-enyl]butan-2-imine.
What is the SMILES notation for N-[(E)-2-fluoroprop-1-enyl]butan-2-imine?
The canonical SMILES for N-[(E)-2-fluoroprop-1-enyl]butan-2-imine is CC/C(C)=N/C=C(\C)F.
What is the InChIKey of N-[(E)-2-fluoroprop-1-enyl]butan-2-imine?
The InChIKey is BHOUXMOGHRAVCU-SBIWHPGTSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-7(3)9-5-6(2)8/h5H,4H2,1-3H3/b6-5+,9-7+.
What are the key properties of N-[(E)-2-fluoroprop-1-enyl]butan-2-imine?
N-[(E)-2-fluoroprop-1-enyl]butan-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)-2-fluoroprop-1-enyl]butan-2-imine is sourced from PubChem (CID 142207587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).