N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine

C9H14FN — CID 137467845

IUPACN-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\C=C\C)CCF
InChIInChI=1S/C9H14FN/c1-4-5-9(6-7-10)8(2)11-3/h4-5H,3,6-7H2,1-2H3/b5-4+,9-8+
InChIKeyWDOMDQJRANUARJ-KQWYESAVSA-N
MW155.22 g/mol
LogP2.90
Rot. Bonds4

About N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine (PubChem CID 137467845) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
PubChem CID137467845
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC NameN-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\C=C\C)CCF
InChIInChI=1S/C9H14FN/c1-4-5-9(6-7-10)8(2)11-3/h4-5H,3,6-7H2,1-2H3/b5-4+,9-8+
InChIKeyWDOMDQJRANUARJ-KQWYESAVSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.90
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-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
CID 70323185
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
CID 123150964
N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine
CID 123417513
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
CID 130347406

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine (CID 137467845) is N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C(\C=C\C)CCF.
What is the InChIKey of N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine?
The InChIKey is WDOMDQJRANUARJ-KQWYESAVSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-5-9(6-7-10)8(2)11-3/h4-5H,3,6-7H2,1-2H3/b5-4+,9-8+.
What are the key properties of N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine has a molecular weight of 155.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 137467845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).