[(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium

C6H11F2N2+ — CID 145390071

IUPAC[(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium
SMILES[H]/N=C(C(/C)=C\[NH2+]C)\C(F)F
InChIInChI=1S/C6H10F2N2/c1-4(3-10-2)5(9)6(7)8/h3,6,9-10H,1-2H3/p+1/b4-3-,9-5-
InChIKeyYFRVZCGHSCBLEM-YSXYLNKBSA-O
MW149.16 g/mol
LogP0.37
Rot. Bonds3

About [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium

[(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium (PubChem CID 145390071) has the molecular formula C6H11F2N2+ and a molecular weight of 149.16 g/mol. Its IUPAC name is [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium.

Molecular Properties

Compound Name[(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium
PubChem CID145390071
Molecular FormulaC6H11F2N2+
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name[(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium
SMILES[H]/N=C(C(/C)=C\[NH2+]C)\C(F)F
InChIInChI=1S/C6H10F2N2/c1-4(3-10-2)5(9)6(7)8/h3,6,9-10H,1-2H3/p+1/b4-3-,9-5-
InChIKeyYFRVZCGHSCBLEM-YSXYLNKBSA-O
XLogP0.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
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 [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium?
The IUPAC name of [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium (CID 145390071) is [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium.
What is the SMILES notation for [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium?
The canonical SMILES for [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium is [H]/N=C(C(/C)=C\[NH2+]C)\C(F)F.
What is the InChIKey of [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium?
The InChIKey is YFRVZCGHSCBLEM-YSXYLNKBSA-O. The full InChI is InChI=1S/C6H10F2N2/c1-4(3-10-2)5(9)6(7)8/h3,6,9-10H,1-2H3/p+1/b4-3-,9-5-.
What are the key properties of [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium?
[(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium has a molecular weight of 149.16 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium is sourced from PubChem (CID 145390071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).