(3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium

C6H9F4N2+ — CID 159270716

IUPAC(3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium
SMILESC/[NH+]=C(\F)C(C)=C(N)C(F)(F)F
InChIInChI=1S/C6H8F4N2/c1-3(5(7)12-2)4(11)6(8,9)10/h11H2,1-2H3/p+1/b4-3?,12-5-
InChIKeyCOWGURFCLFVBFS-CGPLYMGNSA-O
MW185.14 g/mol
LogP-0.14
Rot. Bonds1

About (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium

(3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium (PubChem CID 159270716) has the molecular formula C6H9F4N2+ and a molecular weight of 185.14 g/mol. Its IUPAC name is (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium.

Molecular Properties

Compound Name(3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium
PubChem CID159270716
Molecular FormulaC6H9F4N2+
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium
SMILESC/[NH+]=C(\F)C(C)=C(N)C(F)(F)F
InChIInChI=1S/C6H8F4N2/c1-3(5(7)12-2)4(11)6(8,9)10/h11H2,1-2H3/p+1/b4-3?,12-5-
InChIKeyCOWGURFCLFVBFS-CGPLYMGNSA-O
XLogP-0.14
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.14
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 (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium?
The IUPAC name of (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium (CID 159270716) is (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium.
What is the SMILES notation for (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium?
The canonical SMILES for (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium is C/[NH+]=C(\F)C(C)=C(N)C(F)(F)F.
What is the InChIKey of (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium?
The InChIKey is COWGURFCLFVBFS-CGPLYMGNSA-O. The full InChI is InChI=1S/C6H8F4N2/c1-3(5(7)12-2)4(11)6(8,9)10/h11H2,1-2H3/p+1/b4-3?,12-5-.
What are the key properties of (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium?
(3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium has a molecular weight of 185.14 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,4,4,4-tetrafluoro-2-methylbut-2-enylidene)-methylazanium is sourced from PubChem (CID 159270716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).