(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine

C11H16F3N — CID 88877671

IUPAC(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine
SMILESC=C(/C=C\C(=N\C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H16F3N/c1-8(10(2,3)4)6-7-9(15-5)11(12,13)14/h6-7H,1H2,2-5H3/b7-6-,15-9-
InChIKeyGGVJGAUHIIJLQY-QFVQWYESSA-N
MW219.25 g/mol
LogP3.78
Rot. Bonds2

About (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine

(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine (PubChem CID 88877671) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine
PubChem CID88877671
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine
SMILESC=C(/C=C\C(=N\C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H16F3N/c1-8(10(2,3)4)6-7-9(15-5)11(12,13)14/h6-7H,1H2,2-5H3/b7-6-,15-9-
InChIKeyGGVJGAUHIIJLQY-QFVQWYESSA-N
XLogP3.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine (CID 88877671) is (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine is C=C(/C=C\C(=N\C)C(F)(F)F)C(C)(C)C.
What is the InChIKey of (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine?
The InChIKey is GGVJGAUHIIJLQY-QFVQWYESSA-N. The full InChI is InChI=1S/C11H16F3N/c1-8(10(2,3)4)6-7-9(15-5)11(12,13)14/h6-7H,1H2,2-5H3/b7-6-,15-9-.
What are the key properties of (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine?
(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine has a molecular weight of 219.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine is sourced from PubChem (CID 88877671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).