N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine

C9H10FN — CID 144848748

IUPACN-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine
SMILESC=N/C(C#CCC)=C\C(=C)F
InChIInChI=1S/C9H10FN/c1-4-5-6-9(11-3)7-8(2)10/h7H,2-4H2,1H3/b9-7-
InChIKeyUVJXYSCDCOYAEI-CLFYSBASSA-N
MW151.18 g/mol
LogP2.47
Rot. Bonds2

About N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine

N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine (PubChem CID 144848748) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine
PubChem CID144848748
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC NameN-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine
SMILESC=N/C(C#CCC)=C\C(=C)F
InChIInChI=1S/C9H10FN/c1-4-5-6-9(11-3)7-8(2)10/h7H,2-4H2,1H3/b9-7-
InChIKeyUVJXYSCDCOYAEI-CLFYSBASSA-N
XLogP2.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.47
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(2Z,4E)-4-fluorohexa-2,4-dien-2-yl]methanimine
CID 164071677
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760953
N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
CID 176684240
N-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]methanimine
CID 137510962
ethane;N-[(3Z)-hexa-3,5-dien-1-yn-3-yl]methanimine
CID 144206642
ethane;N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760952
ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
CID 176684239
N-[(3Z)-hepta-1,3-dien-5-yn-4-yl]methanimine
CID 144206866

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine?
The IUPAC name of N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine (CID 144848748) is N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine.
What is the SMILES notation for N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine?
The canonical SMILES for N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine is C=N/C(C#CCC)=C\C(=C)F.
What is the InChIKey of N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine?
The InChIKey is UVJXYSCDCOYAEI-CLFYSBASSA-N. The full InChI is InChI=1S/C9H10FN/c1-4-5-6-9(11-3)7-8(2)10/h7H,2-4H2,1H3/b9-7-.
What are the key properties of N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine?
N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine has a molecular weight of 151.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine is sourced from PubChem (CID 144848748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).