N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine

C8H9ClF3N — CID 139452581

IUPACN-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(=C\C=C(/C)CCl)C(F)(F)F
InChIInChI=1S/C8H9ClF3N/c1-6(5-9)3-4-7(13-2)8(10,11)12/h3-4H,2,5H2,1H3/b6-3+,7-4-
InChIKeyUZBWITJOEVIASN-JOVCIAKGSA-N
MW211.61 g/mol
LogP3.32
Rot. Bonds3

About N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine (PubChem CID 139452581) has the molecular formula C8H9ClF3N and a molecular weight of 211.61 g/mol. Its IUPAC name is N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
PubChem CID139452581
Molecular FormulaC8H9ClF3N
Molecular Weight211.61 g/mol
Exact Mass211.04
IUPAC NameN-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(=C\C=C(/C)CCl)C(F)(F)F
InChIInChI=1S/C8H9ClF3N/c1-6(5-9)3-4-7(13-2)8(10,11)12/h3-4H,2,5H2,1H3/b6-3+,7-4-
InChIKeyUZBWITJOEVIASN-JOVCIAKGSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4E)-3-chloro-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 142010067
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
N-[(2Z,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 146505995
N-[(2E,4E)-1-chloro-3,5-difluorohexa-2,4-dien-2-yl]methanimine
CID 167239958

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine (CID 139452581) is N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine is C=N/C(=C\C=C(/C)CCl)C(F)(F)F.
What is the InChIKey of N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine?
The InChIKey is UZBWITJOEVIASN-JOVCIAKGSA-N. The full InChI is InChI=1S/C8H9ClF3N/c1-6(5-9)3-4-7(13-2)8(10,11)12/h3-4H,2,5H2,1H3/b6-3+,7-4-.
What are the key properties of N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-6-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine has a molecular weight of 211.61 g/mol, XLogP of 3.32, 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-chloro-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 139452581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).