(E)-1,5-difluoro-3-methylpent-3-en-2-imine

C6H9F2N — CID 134932492

IUPAC(E)-1,5-difluoro-3-methylpent-3-en-2-imine
SMILES[H]/N=C(CF)/C(C)=C/CF
InChIInChI=1S/C6H9F2N/c1-5(2-3-7)6(9)4-8/h2,9H,3-4H2,1H3/b5-2+,9-6+
InChIKeyIRQWBTPMVRJAER-WVNGBEFXSA-N
MW133.14 g/mol
LogP1.89
Rot. Bonds3

About (E)-1,5-difluoro-3-methylpent-3-en-2-imine

(E)-1,5-difluoro-3-methylpent-3-en-2-imine (PubChem CID 134932492) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is (E)-1,5-difluoro-3-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,5-difluoro-3-methylpent-3-en-2-imine
PubChem CID134932492
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name(E)-1,5-difluoro-3-methylpent-3-en-2-imine
SMILES[H]/N=C(CF)/C(C)=C/CF
InChIInChI=1S/C6H9F2N/c1-5(2-3-7)6(9)4-8/h2,9H,3-4H2,1H3/b5-2+,9-6+
InChIKeyIRQWBTPMVRJAER-WVNGBEFXSA-N
XLogP1.89
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.89
H-Bond Donors ≤ 51
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)-1,5-difluoro-3-methylpent-3-en-2-imine?
The IUPAC name of (E)-1,5-difluoro-3-methylpent-3-en-2-imine (CID 134932492) is (E)-1,5-difluoro-3-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-1,5-difluoro-3-methylpent-3-en-2-imine?
The canonical SMILES for (E)-1,5-difluoro-3-methylpent-3-en-2-imine is [H]/N=C(CF)/C(C)=C/CF.
What is the InChIKey of (E)-1,5-difluoro-3-methylpent-3-en-2-imine?
The InChIKey is IRQWBTPMVRJAER-WVNGBEFXSA-N. The full InChI is InChI=1S/C6H9F2N/c1-5(2-3-7)6(9)4-8/h2,9H,3-4H2,1H3/b5-2+,9-6+.
What are the key properties of (E)-1,5-difluoro-3-methylpent-3-en-2-imine?
(E)-1,5-difluoro-3-methylpent-3-en-2-imine has a molecular weight of 133.14 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-difluoro-3-methylpent-3-en-2-imine is sourced from PubChem (CID 134932492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).