N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine

C7H10FN — CID 178006392

IUPACN-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C(/C)C(=C)C
InChIInChI=1S/C7H10FN/c1-5(2)6(3)7(8)9-4/h1,4H2,2-3H3/b7-6-
InChIKeyXFBMBLRYMRDHNZ-SREVYHEPSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine

N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine (PubChem CID 178006392) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine
PubChem CID178006392
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C(/C)C(=C)C
InChIInChI=1S/C7H10FN/c1-5(2)6(3)7(8)9-4/h1,4H2,2-3H3/b7-6-
InChIKeyXFBMBLRYMRDHNZ-SREVYHEPSA-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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine (CID 178006392) is N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine is C=N/C(F)=C(/C)C(=C)C.
What is the InChIKey of N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine?
The InChIKey is XFBMBLRYMRDHNZ-SREVYHEPSA-N. The full InChI is InChI=1S/C7H10FN/c1-5(2)6(3)7(8)9-4/h1,4H2,2-3H3/b7-6-.
What are the key properties of N-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine?
N-[(1E)-1-fluoro-2,3-dimethylbuta-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-[(1E)-1-fluoro-2,3-dimethylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 178006392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).