(Z)-2-methylbut-2-enediimidoyl difluoride

C5H6F2N2 — CID 138494922

IUPAC(Z)-2-methylbut-2-enediimidoyl difluoride
SMILES[H]/N=C(F)/C=C(C)\C(F)=N\[H]
InChIInChI=1S/C5H6F2N2/c1-3(5(7)9)2-4(6)8/h2,8-9H,1H3/b3-2-,8-4-,9-5-
InChIKeyVUKYJPKVJDWXBC-QSKUQFQKSA-N
MW132.11 g/mol
LogP1.83
Rot. Bonds2

About (Z)-2-methylbut-2-enediimidoyl difluoride

(Z)-2-methylbut-2-enediimidoyl difluoride (PubChem CID 138494922) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is (Z)-2-methylbut-2-enediimidoyl difluoride.

Molecular Properties

Compound Name(Z)-2-methylbut-2-enediimidoyl difluoride
PubChem CID138494922
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC Name(Z)-2-methylbut-2-enediimidoyl difluoride
SMILES[H]/N=C(F)/C=C(C)\C(F)=N\[H]
InChIInChI=1S/C5H6F2N2/c1-3(5(7)9)2-4(6)8/h2,8-9H,1H3/b3-2-,8-4-,9-5-
InChIKeyVUKYJPKVJDWXBC-QSKUQFQKSA-N
XLogP1.83
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-2-methylbut-2-enediimidoyl difluoride?
The IUPAC name of (Z)-2-methylbut-2-enediimidoyl difluoride (CID 138494922) is (Z)-2-methylbut-2-enediimidoyl difluoride.
What is the SMILES notation for (Z)-2-methylbut-2-enediimidoyl difluoride?
The canonical SMILES for (Z)-2-methylbut-2-enediimidoyl difluoride is [H]/N=C(F)/C=C(C)\C(F)=N\[H].
What is the InChIKey of (Z)-2-methylbut-2-enediimidoyl difluoride?
The InChIKey is VUKYJPKVJDWXBC-QSKUQFQKSA-N. The full InChI is InChI=1S/C5H6F2N2/c1-3(5(7)9)2-4(6)8/h2,8-9H,1H3/b3-2-,8-4-,9-5-.
What are the key properties of (Z)-2-methylbut-2-enediimidoyl difluoride?
(Z)-2-methylbut-2-enediimidoyl difluoride has a molecular weight of 132.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylbut-2-enediimidoyl difluoride is sourced from PubChem (CID 138494922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).