(E)-2-ethenyl-4-fluoropent-2-en-1-amine

C7H12FN — CID 130373413

IUPAC(E)-2-ethenyl-4-fluoropent-2-en-1-amine
SMILESC=C/C(=C\C(C)F)CN
InChIInChI=1S/C7H12FN/c1-3-7(5-9)4-6(2)8/h3-4,6H,1,5,9H2,2H3/b7-4+
InChIKeyVIWHXOFTVMKOTE-QPJJXVBHSA-N
MW129.18 g/mol
LogP1.42
Rot. Bonds3

About (E)-2-ethenyl-4-fluoropent-2-en-1-amine

(E)-2-ethenyl-4-fluoropent-2-en-1-amine (PubChem CID 130373413) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (E)-2-ethenyl-4-fluoropent-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethenyl-4-fluoropent-2-en-1-amine
PubChem CID130373413
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(E)-2-ethenyl-4-fluoropent-2-en-1-amine
SMILESC=C/C(=C\C(C)F)CN
InChIInChI=1S/C7H12FN/c1-3-7(5-9)4-6(2)8/h3-4,6H,1,5,9H2,2H3/b7-4+
InChIKeyVIWHXOFTVMKOTE-QPJJXVBHSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-4-fluoropent-2-en-1-amine?
The IUPAC name of (E)-2-ethenyl-4-fluoropent-2-en-1-amine (CID 130373413) is (E)-2-ethenyl-4-fluoropent-2-en-1-amine.
What is the SMILES notation for (E)-2-ethenyl-4-fluoropent-2-en-1-amine?
The canonical SMILES for (E)-2-ethenyl-4-fluoropent-2-en-1-amine is C=C/C(=C\C(C)F)CN.
What is the InChIKey of (E)-2-ethenyl-4-fluoropent-2-en-1-amine?
The InChIKey is VIWHXOFTVMKOTE-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-7(5-9)4-6(2)8/h3-4,6H,1,5,9H2,2H3/b7-4+.
What are the key properties of (E)-2-ethenyl-4-fluoropent-2-en-1-amine?
(E)-2-ethenyl-4-fluoropent-2-en-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-4-fluoropent-2-en-1-amine is sourced from PubChem (CID 130373413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).