N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine

C8H12FN — CID 166976428

IUPACN-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C(C)/C(F)=C(C)\N=C\C
InChIInChI=1S/C8H12FN/c1-5-10-7(4)8(9)6(2)3/h5H,2H2,1,3-4H3/b8-7+,10-5+
InChIKeyQCZRJQSVKCBQKG-LZIZUESTSA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds2

About N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine

N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine (PubChem CID 166976428) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine
PubChem CID166976428
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C(C)/C(F)=C(C)\N=C\C
InChIInChI=1S/C8H12FN/c1-5-10-7(4)8(9)6(2)3/h5H,2H2,1,3-4H3/b8-7+,10-5+
InChIKeyQCZRJQSVKCBQKG-LZIZUESTSA-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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Related Compounds

(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
CID 135128526
N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
CID 138715311
N-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimine
CID 139320155
5-Ethyl-6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene
CID 141939661
N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine
CID 142004197
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylidenepyridine
CID 144425521

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine (CID 166976428) is N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine is C=C(C)/C(F)=C(C)\N=C\C.
What is the InChIKey of N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine?
The InChIKey is QCZRJQSVKCBQKG-LZIZUESTSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-10-7(4)8(9)6(2)3/h5H,2H2,1,3-4H3/b8-7+,10-5+.
What are the key properties of N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine?
N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine 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)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 166976428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).