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

C9H14FN — CID 143467349

IUPACN-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C(=C/C)C(C)C
InChIInChI=1S/C9H14FN/c1-5-8(7(2)3)9(10)6-11-4/h5-7H,4H2,1-3H3/b8-5-,9-6+
InChIKeyYWXCLFNIHYTVFV-LDFAFZTOSA-N
MW155.22 g/mol
LogP3.10
Rot. Bonds3

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

N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine (PubChem CID 143467349) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
PubChem CID143467349
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC NameN-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C(=C/C)C(C)C
InChIInChI=1S/C9H14FN/c1-5-8(7(2)3)9(10)6-11-4/h5-7H,4H2,1-3H3/b8-5-,9-6+
InChIKeyYWXCLFNIHYTVFV-LDFAFZTOSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.10
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-(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-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 129106496
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
CID 130347406
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1Z,3E)-4-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 135202911
N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 137443888
N-[(1E,3E)-2-(difluoromethyl)-3-fluoro-5-methylhexa-1,3-dienyl]methanimine
CID 137532776
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
CID 139386678
N-[(1Z,3Z)-6-fluoro-2-methylhepta-1,3-dienyl]methanimine
CID 153589803

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine (CID 143467349) is N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine is C=N/C=C(F)\C(=C/C)C(C)C.
What is the InChIKey of N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine?
The InChIKey is YWXCLFNIHYTVFV-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H14FN/c1-5-8(7(2)3)9(10)6-11-4/h5-7H,4H2,1-3H3/b8-5-,9-6+.
What are the key properties of N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine has a molecular weight of 155.22 g/mol, XLogP of 3.10, 3 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-propan-2-ylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 143467349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).