N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine

C10H14F3N — CID 137443888

IUPACN-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H14F3N/c1-7(2)9(6-14-4)5-8(3)10(11,12)13/h5-7H,4H2,1-3H3/b8-5+,9-6+
InChIKeyFBBKDGKYQZQVAX-XVYDYJIPSA-N
MW205.22 g/mol
LogP3.74
Rot. Bonds3

About N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine

N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine (PubChem CID 137443888) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine
PubChem CID137443888
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H14F3N/c1-7(2)9(6-14-4)5-8(3)10(11,12)13/h5-7H,4H2,1-3H3/b8-5+,9-6+
InChIKeyFBBKDGKYQZQVAX-XVYDYJIPSA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.74
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-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine (CID 137443888) is N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine is C=N/C=C(\C=C(/C)C(F)(F)F)C(C)C.
What is the InChIKey of N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine?
The InChIKey is FBBKDGKYQZQVAX-XVYDYJIPSA-N. The full InChI is InChI=1S/C10H14F3N/c1-7(2)9(6-14-4)5-8(3)10(11,12)13/h5-7H,4H2,1-3H3/b8-5+,9-6+.
What are the key properties of N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine?
N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine has a molecular weight of 205.22 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 137443888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).