N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine

C8H10FN — CID 143599395

IUPACN-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine
SMILESC=NC=C=C(F)/C(C)=C\C
InChIInChI=1S/C8H10FN/c1-4-7(2)8(9)5-6-10-3/h4,6H,3H2,1-2H3/b7-4-
InChIKeyCKAADOHPRKZHEO-DAXSKMNVSA-N
MW139.17 g/mol
LogP2.62
Rot. Bonds2

About N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine

N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine (PubChem CID 143599395) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine.

Molecular Properties

Compound NameN-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine
PubChem CID143599395
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC NameN-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine
SMILESC=NC=C=C(F)/C(C)=C\C
InChIInChI=1S/C8H10FN/c1-4-7(2)8(9)5-6-10-3/h4,6H,3H2,1-2H3/b7-4-
InChIKeyCKAADOHPRKZHEO-DAXSKMNVSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.62
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

N-(4-methylpenta-1,2,4-trienyl)methanimine
CID 143707484
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 154931880
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
4-ethenyl-5-methylhepta-2,3,5-triene
CID 123352008
ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
CID 142804445
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
(2E,4E)-5-bromo-3-fluoro-2-(methylideneamino)hexa-2,4-dienenitrile
CID 167284948
3-methyl-4-(methylideneamino)but-3-en-2-one
CID 123257729

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine?
The IUPAC name of N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine (CID 143599395) is N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine.
What is the SMILES notation for N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine?
The canonical SMILES for N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine is C=NC=C=C(F)/C(C)=C\C.
What is the InChIKey of N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine?
The InChIKey is CKAADOHPRKZHEO-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H10FN/c1-4-7(2)8(9)5-6-10-3/h4,6H,3H2,1-2H3/b7-4-.
What are the key properties of N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine?
N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine has a molecular weight of 139.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine is sourced from PubChem (CID 143599395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).