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

C7H10FN — CID 139565422

IUPACN-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine
SMILESCC(=C(/C=C\N=C)F)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
LogP3.40
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
SMILESCC(=C(/C=C\N=C)F)C
InChIInChI=1S/C7H10FN/c1-6(2)7(8)4-5-9-3/h4-5H,3H2,1-2H3/b5-4-
InChIKeyHJBRHWNAALRFSA-PLNGDYQASA-N
XLogP3.40
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity152

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(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 CC(=C(/C=C\N=C)F)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 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 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).