(2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine

C11H16F3N — CID 171801972

IUPAC(2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine
SMILES[H]/N=C/C(=C\C(C)C(C)=C(C)C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-7(2)9(4)8(3)5-10(6-15)11(12,13)14/h5-6,8,15H,1-4H3/b10-5+,15-6+
InChIKeyDWCLSEUFGUGSHS-IIWJRBGLSA-N
MW219.25 g/mol
LogP4.12
Rot. Bonds3

About (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine

(2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine (PubChem CID 171801972) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine.

Molecular Properties

Compound Name(2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine
PubChem CID171801972
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine
SMILES[H]/N=C/C(=C\C(C)C(C)=C(C)C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-7(2)9(4)8(3)5-10(6-15)11(12,13)14/h5-6,8,15H,1-4H3/b10-5+,15-6+
InChIKeyDWCLSEUFGUGSHS-IIWJRBGLSA-N
XLogP4.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-6,6,6-trifluoro-5-methyl-2-propylhexa-2,4-dien-1-imine
CID 89697918
(E)-6,6,6-trifluoro-5-methyl-2-propylhex-4-en-1-imine
CID 89708392
6,6,6-Trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine
CID 91136503
4-Methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine
CID 123677463
(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine
CID 126497184
(E,2E)-3,5,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine
CID 134466742
(2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine
CID 139474751
(2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine
CID 146580822
(E)-2-(1,1-difluoroethyl)but-2-en-1-imine
CID 147852045
(Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine
CID 163758951
(2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine
CID 166651452
(E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane
CID 171493318

Frequently Asked Questions

What is the IUPAC name of (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine?
The IUPAC name of (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine (CID 171801972) is (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine.
What is the SMILES notation for (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine?
The canonical SMILES for (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine is [H]/N=C/C(=C\C(C)C(C)=C(C)C)C(F)(F)F.
What is the InChIKey of (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine?
The InChIKey is DWCLSEUFGUGSHS-IIWJRBGLSA-N. The full InChI is InChI=1S/C11H16F3N/c1-7(2)9(4)8(3)5-10(6-15)11(12,13)14/h5-6,8,15H,1-4H3/b10-5+,15-6+.
What are the key properties of (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine?
(2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine has a molecular weight of 219.25 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine is sourced from PubChem (CID 171801972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).