(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine

C10H11F6N — CID 170098100

IUPAC(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
SMILESCC/C=C(/N=C/C=C(\C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6N/c1-3-4-8(10(14,15)16)17-6-5-7(2)9(11,12)13/h4-6H,3H2,1-2H3/b7-5+,8-4+,17-6+
InChIKeyRYFVHZMUILUZJU-NGKGEDMOSA-N
MW259.19 g/mol
LogP4.42
Rot. Bonds3

About (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine

(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine (PubChem CID 170098100) has the molecular formula C10H11F6N and a molecular weight of 259.19 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
PubChem CID170098100
Molecular FormulaC10H11F6N
Molecular Weight259.19 g/mol
Exact Mass259.08
IUPAC Name(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
SMILESCC/C=C(/N=C/C=C(\C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6N/c1-3-4-8(10(14,15)16)17-6-5-7(2)9(11,12)13/h4-6H,3H2,1-2H3/b7-5+,8-4+,17-6+
InChIKeyRYFVHZMUILUZJU-NGKGEDMOSA-N
XLogP4.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 54.42
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)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine?
The IUPAC name of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine (CID 170098100) is (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine.
What is the SMILES notation for (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine?
The canonical SMILES for (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine is CC/C=C(/N=C/C=C(\C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine?
The InChIKey is RYFVHZMUILUZJU-NGKGEDMOSA-N. The full InChI is InChI=1S/C10H11F6N/c1-3-4-8(10(14,15)16)17-6-5-7(2)9(11,12)13/h4-6H,3H2,1-2H3/b7-5+,8-4+,17-6+.
What are the key properties of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine?
(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine has a molecular weight of 259.19 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 170098100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).