(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine

C12H12F9N — CID 174030170

IUPAC(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C(C)=C(/N=C(/C=C(\C)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F9N/c1-4-6(2)9(12(19,20)21)22-8(11(16,17)18)5-7(3)10(13,14)15/h5H,4H2,1-3H3/b7-5+,9-6+,22-8-
InChIKeyGKVQBAJFDFQLRI-OEVWCXIISA-N
MW341.22 g/mol
LogP5.74
Rot. Bonds3

About (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine

(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine (PubChem CID 174030170) has the molecular formula C12H12F9N and a molecular weight of 341.22 g/mol. Its IUPAC name is (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine
PubChem CID174030170
Molecular FormulaC12H12F9N
Molecular Weight341.22 g/mol
Exact Mass341.08
IUPAC Name(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C(C)=C(/N=C(/C=C(\C)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F9N/c1-4-6(2)9(12(19,20)21)22-8(11(16,17)18)5-7(3)10(13,14)15/h5H,4H2,1-3H3/b7-5+,9-6+,22-8-
InChIKeyGKVQBAJFDFQLRI-OEVWCXIISA-N
XLogP5.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.22
LogP ≤ 55.74
H-Bond Donors ≤ 50
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 (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
The IUPAC name of (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine (CID 174030170) is (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
The canonical SMILES for (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine is CC/C(C)=C(/N=C(/C=C(\C)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
The InChIKey is GKVQBAJFDFQLRI-OEVWCXIISA-N. The full InChI is InChI=1S/C12H12F9N/c1-4-6(2)9(12(19,20)21)22-8(11(16,17)18)5-7(3)10(13,14)15/h5H,4H2,1-3H3/b7-5+,9-6+,22-8-.
What are the key properties of (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine has a molecular weight of 341.22 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 174030170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).