N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide

C8H12FN3 — CID 123734495

IUPACN'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide
SMILES[H]/N=C(C)/C(/C=C/N=C(\C)N)=C/F
InChIInChI=1S/C8H12FN3/c1-6(10)8(5-9)3-4-12-7(2)11/h3-5,10H,1-2H3,(H2,11,12)/b4-3+,8-5+,10-6+
InChIKeyOGYDYKBQVJJCJD-IZMYCKBJSA-N
MW169.20 g/mol
LogP1.77
Rot. Bonds3

About N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide

N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide (PubChem CID 123734495) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide
PubChem CID123734495
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC NameN'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide
SMILES[H]/N=C(C)/C(/C=C/N=C(\C)N)=C/F
InChIInChI=1S/C8H12FN3/c1-6(10)8(5-9)3-4-12-7(2)11/h3-5,10H,1-2H3,(H2,11,12)/b4-3+,8-5+,10-6+
InChIKeyOGYDYKBQVJJCJD-IZMYCKBJSA-N
XLogP1.77
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(1Z)-3-(difluoromethyl)buta-1,3-dienyl]propanimidamide
CID 163851621
N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide
CID 162606380
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide
CID 123670812
N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide
CID 145381830

Frequently Asked Questions

What is the IUPAC name of N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide (CID 123734495) is N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide is [H]/N=C(C)/C(/C=C/N=C(\C)N)=C/F.
What is the InChIKey of N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide?
The InChIKey is OGYDYKBQVJJCJD-IZMYCKBJSA-N. The full InChI is InChI=1S/C8H12FN3/c1-6(10)8(5-9)3-4-12-7(2)11/h3-5,10H,1-2H3,(H2,11,12)/b4-3+,8-5+,10-6+.
What are the key properties of N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide?
N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide has a molecular weight of 169.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E,3E)-3-(fluoromethylidene)-4-iminopent-1-enyl]ethanimidamide is sourced from PubChem (CID 123734495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).