N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine

C7H10FN — CID 139565422

IUPACN-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(F)=C(C)C
InChIInChI=1S/C7H10FN/c1-6(2)7(8)4-5-9-3/h4-5H,3H2,1-2H3/b5-4-
InChIKeyHJBRHWNAALRFSA-PLNGDYQASA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine

N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine (PubChem CID 139565422) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine
PubChem CID139565422
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(F)=C(C)C
InChIInChI=1S/C7H10FN/c1-6(2)7(8)4-5-9-3/h4-5H,3H2,1-2H3/b5-4-
InChIKeyHJBRHWNAALRFSA-PLNGDYQASA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
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-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine
CID 123242234
N-[(1E)-2-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 129234801
N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
CID 143398737
N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]methanimine
CID 143599379
N-[(1Z,3E)-4-fluoropenta-1,3-dienyl]methanimine
CID 144319007
N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 156158691
N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 145492803
N-[(1Z,3Z)-penta-1,3-dienyl]methanimine
CID 58171475
N-penta-1,3-dienylmethanimine
CID 76692875
N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine
CID 88315786
N-[(1Z)-4-methylpenta-1,3-dienyl]methanimine
CID 88885459
N-(4-methylpenta-1,3-dienyl)methanimine
CID 90997373

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine (CID 139565422) is N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine is C=N/C=C\C(F)=C(C)C.
What is the InChIKey of N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine?
The InChIKey is HJBRHWNAALRFSA-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10FN/c1-6(2)7(8)4-5-9-3/h4-5H,3H2,1-2H3/b5-4-.
What are the key properties of N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine?
N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 139565422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).