(Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine

C6H8F2N2 — CID 163443571

IUPAC(Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
SMILESC=N/C(F)=C(F)\C(C)=N\C
InChIInChI=1S/C6H8F2N2/c1-4(9-2)5(7)6(8)10-3/h3H2,1-2H3/b6-5+,9-4+
InChIKeyBAPMWCKJDRKXFI-BZNITXMSSA-N
MW146.14 g/mol
LogP1.89
Rot. Bonds2

About (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine

(Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine (PubChem CID 163443571) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
PubChem CID163443571
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name(Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
SMILESC=N/C(F)=C(F)\C(C)=N\C
InChIInChI=1S/C6H8F2N2/c1-4(9-2)5(7)6(8)10-3/h3H2,1-2H3/b6-5+,9-4+
InChIKeyBAPMWCKJDRKXFI-BZNITXMSSA-N
XLogP1.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 123588566
(E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 145012030

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine?
The IUPAC name of (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine (CID 163443571) is (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine?
The canonical SMILES for (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine is C=N/C(F)=C(F)\C(C)=N\C.
What is the InChIKey of (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine?
The InChIKey is BAPMWCKJDRKXFI-BZNITXMSSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-4(9-2)5(7)6(8)10-3/h3H2,1-2H3/b6-5+,9-4+.
What are the key properties of (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine?
(Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine has a molecular weight of 146.14 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine is sourced from PubChem (CID 163443571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).