(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine

C7H11F2NO — CID 89226253

IUPAC(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(/C=C(/CF)OC)CF
InChIInChI=1S/C7H11F2NO/c1-10-6(4-8)3-7(5-9)11-2/h3H,4-5H2,1-2H3/b7-3-,10-6-
InChIKeyYJSNYJOSSOMZPB-XOGRUQSTSA-N
MW163.17 g/mol
LogP1.53
Rot. Bonds4

About (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine

(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine (PubChem CID 89226253) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine
PubChem CID89226253
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(/C=C(/CF)OC)CF
InChIInChI=1S/C7H11F2NO/c1-10-6(4-8)3-7(5-9)11-2/h3H,4-5H2,1-2H3/b7-3-,10-6-
InChIKeyYJSNYJOSSOMZPB-XOGRUQSTSA-N
XLogP1.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine?
The IUPAC name of (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine (CID 89226253) is (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine.
What is the SMILES notation for (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine?
The canonical SMILES for (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine is C/N=C(/C=C(/CF)OC)CF.
What is the InChIKey of (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine?
The InChIKey is YJSNYJOSSOMZPB-XOGRUQSTSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-10-6(4-8)3-7(5-9)11-2/h3H,4-5H2,1-2H3/b7-3-,10-6-.
What are the key properties of (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine?
(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine has a molecular weight of 163.17 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine is sourced from PubChem (CID 89226253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).