N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine

C8H12FN — CID 134441063

IUPACN-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(F)\C(C)=C/C
InChIInChI=1S/C8H12FN/c1-5-6(2)8(9)7(3)10-4/h5H,4H2,1-3H3/b6-5-,8-7+
InChIKeyQQIMERUFWAOUBW-IGTJQSIKSA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds2

About N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine

N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine (PubChem CID 134441063) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
PubChem CID134441063
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(F)\C(C)=C/C
InChIInChI=1S/C8H12FN/c1-5-6(2)8(9)7(3)10-4/h5H,4H2,1-3H3/b6-5-,8-7+
InChIKeyQQIMERUFWAOUBW-IGTJQSIKSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.85
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-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine (CID 134441063) is N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C(F)\C(C)=C/C.
What is the InChIKey of N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine?
The InChIKey is QQIMERUFWAOUBW-IGTJQSIKSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-6(2)8(9)7(3)10-4/h5H,4H2,1-3H3/b6-5-,8-7+.
What are the key properties of N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine?
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 134441063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).