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

C11H10F9N — CID 170098106

IUPAC(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C=C(/N=C(\C=C(/C)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F9N/c1-3-4-7(10(15,16)17)21-8(11(18,19)20)5-6(2)9(12,13)14/h4-5H,3H2,1-2H3/b6-5+,7-4+,21-8+
InChIKeyKAJJEYDVJLSVEM-MFODRQARSA-N
MW327.19 g/mol
LogP5.35
Rot. Bonds3

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

(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine (PubChem CID 170098106) has the molecular formula C11H10F9N and a molecular weight of 327.19 g/mol. Its IUPAC name is (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoropent-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-trifluoropent-2-en-2-yl]pent-3-en-2-imine
PubChem CID170098106
Molecular FormulaC11H10F9N
Molecular Weight327.19 g/mol
Exact Mass327.07
IUPAC Name(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C=C(/N=C(\C=C(/C)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F9N/c1-3-4-7(10(15,16)17)21-8(11(18,19)20)5-6(2)9(12,13)14/h4-5H,3H2,1-2H3/b6-5+,7-4+,21-8+
InChIKeyKAJJEYDVJLSVEM-MFODRQARSA-N
XLogP5.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.19
LogP ≤ 55.35
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-trifluoropent-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-trifluoropent-2-en-2-yl]pent-3-en-2-imine (CID 170098106) is (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoropent-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-trifluoropent-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-trifluoropent-2-en-2-yl]pent-3-en-2-imine is CC/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-trifluoropent-2-en-2-yl]pent-3-en-2-imine?
The InChIKey is KAJJEYDVJLSVEM-MFODRQARSA-N. The full InChI is InChI=1S/C11H10F9N/c1-3-4-7(10(15,16)17)21-8(11(18,19)20)5-6(2)9(12,13)14/h4-5H,3H2,1-2H3/b6-5+,7-4+,21-8+.
What are the key properties of (E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine?
(E)-1,1,1,5,5,5-hexafluoro-4-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine has a molecular weight of 327.19 g/mol, XLogP of 5.35, 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-trifluoropent-2-en-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 170098106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).