(6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine

C12H14F3N — CID 162565447

IUPAC(6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine
SMILESC=C(C)/C(=C1/CCC=C/C1=N\C)C(F)(F)F
InChIInChI=1S/C12H14F3N/c1-8(2)11(12(13,14)15)9-6-4-5-7-10(9)16-3/h5,7H,1,4,6H2,2-3H3/b11-9+,16-10+
InChIKeyPNGWLCYPDXMREE-VZNDOJKJSA-N
MW229.24 g/mol
LogP3.84
Rot. Bonds1

About (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine

(6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine (PubChem CID 162565447) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name(6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine
PubChem CID162565447
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name(6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine
SMILESC=C(C)/C(=C1/CCC=C/C1=N\C)C(F)(F)F
InChIInChI=1S/C12H14F3N/c1-8(2)11(12(13,14)15)9-6-4-5-7-10(9)16-3/h5,7H,1,4,6H2,2-3H3/b11-9+,16-10+
InChIKeyPNGWLCYPDXMREE-VZNDOJKJSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.84
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 (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine?
The IUPAC name of (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine (CID 162565447) is (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine.
What is the SMILES notation for (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine?
The canonical SMILES for (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine is C=C(C)/C(=C1/CCC=C/C1=N\C)C(F)(F)F.
What is the InChIKey of (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine?
The InChIKey is PNGWLCYPDXMREE-VZNDOJKJSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8(2)11(12(13,14)15)9-6-4-5-7-10(9)16-3/h5,7H,1,4,6H2,2-3H3/b11-9+,16-10+.
What are the key properties of (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine?
(6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine has a molecular weight of 229.24 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-N-methyl-6-(1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)cyclohex-2-en-1-imine is sourced from PubChem (CID 162565447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).