N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine

C6H8FN — CID 155129232

IUPACN-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine
SMILESC=NC(=C)/C(F)=C\C
InChIInChI=1S/C6H8FN/c1-4-6(7)5(2)8-3/h4H,2-3H2,1H3/b6-4+
InChIKeyFGVBIMDEKQTKFR-GQCTYLIASA-N
MW113.14 g/mol
LogP2.07
Rot. Bonds2

About N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine

N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine (PubChem CID 155129232) has the molecular formula C6H8FN and a molecular weight of 113.14 g/mol. Its IUPAC name is N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine
PubChem CID155129232
Molecular FormulaC6H8FN
Molecular Weight113.14 g/mol
Exact Mass113.06
IUPAC NameN-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine
SMILESC=NC(=C)/C(F)=C\C
InChIInChI=1S/C6H8FN/c1-4-6(7)5(2)8-3/h4H,2-3H2,1H3/b6-4+
InChIKeyFGVBIMDEKQTKFR-GQCTYLIASA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 52.07
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-[(Z)-1-fluorobut-2-en-2-yl]methanimine
CID 129299402
N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 143435074
N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
CID 143800417
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 144022164
N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
CID 144753304
N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(2E,4Z)-3-fluorohexa-2,4-dien-2-yl]methanimine
CID 155095809
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine
CID 163633243
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

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine?
The IUPAC name of N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine (CID 155129232) is N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine.
What is the SMILES notation for N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine?
The canonical SMILES for N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine is C=NC(=C)/C(F)=C\C.
What is the InChIKey of N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine?
The InChIKey is FGVBIMDEKQTKFR-GQCTYLIASA-N. The full InChI is InChI=1S/C6H8FN/c1-4-6(7)5(2)8-3/h4H,2-3H2,1H3/b6-4+.
What are the key properties of N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine?
N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine has a molecular weight of 113.14 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine is sourced from PubChem (CID 155129232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).