(E)-2-fluoro-1-iminopent-2-en-3-amine

C5H9FN2 — CID 89416390

IUPAC(E)-2-fluoro-1-iminopent-2-en-3-amine
SMILES[H]/N=C/C(F)=C(\N)CC
InChIInChI=1S/C5H9FN2/c1-2-5(8)4(6)3-7/h3,7H,2,8H2,1H3/b5-4+,7-3+
InChIKeyWUBRQRDNDQFYQH-JLVHPEPXSA-N
MW116.14 g/mol
LogP1.19
Rot. Bonds2

About (E)-2-fluoro-1-iminopent-2-en-3-amine

(E)-2-fluoro-1-iminopent-2-en-3-amine (PubChem CID 89416390) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (E)-2-fluoro-1-iminopent-2-en-3-amine.

Molecular Properties

Compound Name(E)-2-fluoro-1-iminopent-2-en-3-amine
PubChem CID89416390
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(E)-2-fluoro-1-iminopent-2-en-3-amine
SMILES[H]/N=C/C(F)=C(\N)CC
InChIInChI=1S/C5H9FN2/c1-2-5(8)4(6)3-7/h3,7H,2,8H2,1H3/b5-4+,7-3+
InChIKeyWUBRQRDNDQFYQH-JLVHPEPXSA-N
XLogP1.19
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (E)-2-fluoro-1-iminopent-2-en-3-amine?
The IUPAC name of (E)-2-fluoro-1-iminopent-2-en-3-amine (CID 89416390) is (E)-2-fluoro-1-iminopent-2-en-3-amine.
What is the SMILES notation for (E)-2-fluoro-1-iminopent-2-en-3-amine?
The canonical SMILES for (E)-2-fluoro-1-iminopent-2-en-3-amine is [H]/N=C/C(F)=C(\N)CC.
What is the InChIKey of (E)-2-fluoro-1-iminopent-2-en-3-amine?
The InChIKey is WUBRQRDNDQFYQH-JLVHPEPXSA-N. The full InChI is InChI=1S/C5H9FN2/c1-2-5(8)4(6)3-7/h3,7H,2,8H2,1H3/b5-4+,7-3+.
What are the key properties of (E)-2-fluoro-1-iminopent-2-en-3-amine?
(E)-2-fluoro-1-iminopent-2-en-3-amine has a molecular weight of 116.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-1-iminopent-2-en-3-amine is sourced from PubChem (CID 89416390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).