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

C7H10FN — CID 145492803

IUPACN-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C(C)=C/C
InChIInChI=1S/C7H10FN/c1-4-6(2)7(8)5-9-3/h4-5H,3H2,1-2H3/b6-4-,7-5+
InChIKeyQLEUWSNIVDAMJS-XGXWUAJZSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

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

N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine (PubChem CID 145492803) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine
PubChem CID145492803
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C(C)=C/C
InChIInChI=1S/C7H10FN/c1-4-6(2)7(8)5-9-3/h4-5H,3H2,1-2H3/b6-4-,7-5+
InChIKeyQLEUWSNIVDAMJS-XGXWUAJZSA-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-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
CID 88579421
N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine
CID 123242234
N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine
CID 123285144
N-(2-fluoro-3-methylbuta-1,3-dienyl)methanimine
CID 123320493
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1E)-2-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 129234801
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine (CID 145492803) is N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine is C=N/C=C(F)\C(C)=C/C.
What is the InChIKey of N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine?
The InChIKey is QLEUWSNIVDAMJS-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-6(2)7(8)5-9-3/h4-5H,3H2,1-2H3/b6-4-,7-5+.
What are the key properties of N-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-fluoro-3-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-[(1E,3Z)-2-fluoro-3-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 145492803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).