N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine

C6H8FN — CID 144753304

IUPACN-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C=C(/CF)N=C
InChIInChI=1S/C6H8FN/c1-3-4-6(5-7)8-2/h3-4H,1-2,5H2/b6-4-
InChIKeyNDMSDVTUVLVZFG-XQRVVYSFSA-N
MW113.13 g/mol
LogP1.73
Rot. Bonds3

About N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine

N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine (PubChem CID 144753304) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
PubChem CID144753304
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC NameN-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C=C(/CF)N=C
InChIInChI=1S/C6H8FN/c1-3-4-6(5-7)8-2/h3-4H,1-2,5H2/b6-4-
InChIKeyNDMSDVTUVLVZFG-XQRVVYSFSA-N
XLogP1.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.73
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-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine
CID 91543701
N-[(Z)-1-fluorobut-2-en-2-yl]methanimine
CID 129299402
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
CID 142135069
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-[(1Z,3E)-4-fluoropenta-1,3-dienyl]methanimine
CID 144319007
N-[(2Z)-1,1-difluoropenta-2,4-dien-2-yl]methanimine
CID 144753283
N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride
CID 155050849
N-[(2E,4Z)-3-fluorohexa-2,4-dien-2-yl]methanimine
CID 155095809
N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine
CID 155129232

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine (CID 144753304) is N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine is C=C/C=C(/CF)N=C.
What is the InChIKey of N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine?
The InChIKey is NDMSDVTUVLVZFG-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H8FN/c1-3-4-6(5-7)8-2/h3-4H,1-2,5H2/b6-4-.
What are the key properties of N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine?
N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine has a molecular weight of 113.13 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 144753304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).