N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine

C7H7F4N — CID 167068630

IUPACN-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(=C\C=C(/C)F)C(F)(F)F
InChIInChI=1S/C7H7F4N/c1-5(8)3-4-6(12-2)7(9,10)11/h3-4H,2H2,1H3/b5-3+,6-4-
InChIKeyQTKPLUJYCHUWBK-UZNMPDEFSA-N
MW181.13 g/mol
LogP3.01
Rot. Bonds2

About N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine (PubChem CID 167068630) has the molecular formula C7H7F4N and a molecular weight of 181.13 g/mol. Its IUPAC name is N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine
PubChem CID167068630
Molecular FormulaC7H7F4N
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC NameN-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(=C\C=C(/C)F)C(F)(F)F
InChIInChI=1S/C7H7F4N/c1-5(8)3-4-6(12-2)7(9,10)11/h3-4H,2H2,1H3/b5-3+,6-4-
InChIKeyQTKPLUJYCHUWBK-UZNMPDEFSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 53.01
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)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine (CID 167068630) is N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine is C=N/C(=C\C=C(/C)F)C(F)(F)F.
What is the InChIKey of N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine?
The InChIKey is QTKPLUJYCHUWBK-UZNMPDEFSA-N. The full InChI is InChI=1S/C7H7F4N/c1-5(8)3-4-6(12-2)7(9,10)11/h3-4H,2H2,1H3/b5-3+,6-4-.
What are the key properties of N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine has a molecular weight of 181.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-1,1,1,5-tetrafluorohexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 167068630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).