N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine

C11H16F3N — CID 146214645

IUPACN-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\C=C(/C)C(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3N/c1-7(2)10(9(4)15-5)6-8(3)11(12,13)14/h6-7H,5H2,1-4H3/b8-6+,10-9+
InChIKeyIGMSTXKFHXRPEH-QGHYKFKQSA-N
MW219.25 g/mol
LogP4.13
Rot. Bonds3

About N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine (PubChem CID 146214645) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine
PubChem CID146214645
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\C=C(/C)C(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3N/c1-7(2)10(9(4)15-5)6-8(3)11(12,13)14/h6-7H,5H2,1-4H3/b8-6+,10-9+
InChIKeyIGMSTXKFHXRPEH-QGHYKFKQSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.13
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 N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine (CID 146214645) is N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C(\C=C(/C)C(F)(F)F)C(C)C.
What is the InChIKey of N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine?
The InChIKey is IGMSTXKFHXRPEH-QGHYKFKQSA-N. The full InChI is InChI=1S/C11H16F3N/c1-7(2)10(9(4)15-5)6-8(3)11(12,13)14/h6-7H,5H2,1-4H3/b8-6+,10-9+.
What are the key properties of N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine has a molecular weight of 219.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 146214645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).