N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine

C7H10FN — CID 123242234

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

About N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine

N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine (PubChem CID 123242234) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine
PubChem CID123242234
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine
SMILESC=NC=C(F)C=C(C)C
InChIInChI=1S/C7H10FN/c1-6(2)4-7(8)5-9-3/h4-5H,3H2,1-2H3
InChIKeyLXORWDMABDEEGR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine?
The IUPAC name of N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine (CID 123242234) is N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine.
What is the SMILES notation for N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine?
The canonical SMILES for N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine is C=NC=C(F)C=C(C)C.
What is the InChIKey of N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine?
The InChIKey is LXORWDMABDEEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-6(2)4-7(8)5-9-3/h4-5H,3H2,1-2H3.
What are the key properties of N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine?
N-(2-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-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine is sourced from PubChem (CID 123242234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).