N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine

C8H12FN — CID 171630746

IUPACN-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C(=C)F)C(C)C
InChIInChI=1S/C8H12FN/c1-6(2)8(10-4)5-7(3)9/h5-6H,3-4H2,1-2H3/b8-5-
InChIKeyBQIRSYWXXCJAGM-YVMONPNESA-N
MW141.19 g/mol
LogP2.71
Rot. Bonds3

About N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine

N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine (PubChem CID 171630746) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
PubChem CID171630746
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C(=C)F)C(C)C
InChIInChI=1S/C8H12FN/c1-6(2)8(10-4)5-7(3)9/h5-6H,3-4H2,1-2H3/b8-5-
InChIKeyBQIRSYWXXCJAGM-YVMONPNESA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.71
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-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine
CID 89198232
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
CID 123150964
N-[1-(6-fluoro-6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298306
N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298650
N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine
CID 123417513
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(2Z,4E,6E)-6-fluoro-3-methyl-4-prop-1-en-2-ylocta-2,4,6-trien-2-yl]methanimine
CID 134298486

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine (CID 171630746) is N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine is C=N/C(=C\C(=C)F)C(C)C.
What is the InChIKey of N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
The InChIKey is BQIRSYWXXCJAGM-YVMONPNESA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)8(10-4)5-7(3)9/h5-6H,3-4H2,1-2H3/b8-5-.
What are the key properties of N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine has a molecular weight of 141.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 171630746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).