(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine

C7H12FN — CID 171493683

IUPAC(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
SMILESCC/C=C(\C=N\C)CF
InChIInChI=1S/C7H12FN/c1-3-4-7(5-8)6-9-2/h4,6H,3,5H2,1-2H3/b7-4-,9-6+
InChIKeyOIXRIASMPKHJFS-WCXGJSBASA-N
MW129.18 g/mol
LogP1.99
Rot. Bonds3

About (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine

(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine (PubChem CID 171493683) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
PubChem CID171493683
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
SMILESCC/C=C(\C=N\C)CF
InChIInChI=1S/C7H12FN/c1-3-4-7(5-8)6-9-2/h4,6H,3,5H2,1-2H3/b7-4-,9-6+
InChIKeyOIXRIASMPKHJFS-WCXGJSBASA-N
XLogP1.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine?
The IUPAC name of (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine (CID 171493683) is (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine.
What is the SMILES notation for (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine?
The canonical SMILES for (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine is CC/C=C(\C=N\C)CF.
What is the InChIKey of (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine?
The InChIKey is OIXRIASMPKHJFS-WCXGJSBASA-N. The full InChI is InChI=1S/C7H12FN/c1-3-4-7(5-8)6-9-2/h4,6H,3,5H2,1-2H3/b7-4-,9-6+.
What are the key properties of (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine?
(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine has a molecular weight of 129.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine is sourced from PubChem (CID 171493683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).