N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride

C7H12FN3 — CID 170192607

IUPACN-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride
SMILES[H]/N=C(C)/C(N)=C(C)\N=C(/C)F
InChIInChI=1S/C7H12FN3/c1-4(9)7(10)5(2)11-6(3)8/h9H,10H2,1-3H3/b7-5+,9-4+,11-6+
InChIKeyZHFZCCBBUBLXJY-HSTVPGRFSA-N
MW157.19 g/mol
LogP1.60
Rot. Bonds2

About N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride

N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride (PubChem CID 170192607) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride
PubChem CID170192607
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC NameN-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride
SMILES[H]/N=C(C)/C(N)=C(C)\N=C(/C)F
InChIInChI=1S/C7H12FN3/c1-4(9)7(10)5(2)11-6(3)8/h9H,10H2,1-3H3/b7-5+,9-4+,11-6+
InChIKeyZHFZCCBBUBLXJY-HSTVPGRFSA-N
XLogP1.60
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride?
The IUPAC name of N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride (CID 170192607) is N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride?
The canonical SMILES for N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride is [H]/N=C(C)/C(N)=C(C)\N=C(/C)F.
What is the InChIKey of N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride?
The InChIKey is ZHFZCCBBUBLXJY-HSTVPGRFSA-N. The full InChI is InChI=1S/C7H12FN3/c1-4(9)7(10)5(2)11-6(3)8/h9H,10H2,1-3H3/b7-5+,9-4+,11-6+.
What are the key properties of N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride?
N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride has a molecular weight of 157.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride is sourced from PubChem (CID 170192607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).