N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine

C6H11FN2 — CID 166922679

IUPACN-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine
SMILESC/C=C(F)\C(C)=N\NC
InChIInChI=1S/C6H11FN2/c1-4-6(7)5(2)9-8-3/h4,8H,1-3H3/b6-4+,9-5+
InChIKeyRENHZAROABUYKK-REZHQCRGSA-N
MW130.17 g/mol
LogP1.46
Rot. Bonds2

About N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine

N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine (PubChem CID 166922679) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine
PubChem CID166922679
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC NameN-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine
SMILESC/C=C(F)\C(C)=N\NC
InChIInChI=1S/C6H11FN2/c1-4-6(7)5(2)9-8-3/h4,8H,1-3H3/b6-4+,9-5+
InChIKeyRENHZAROABUYKK-REZHQCRGSA-N
XLogP1.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine?
The IUPAC name of N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine (CID 166922679) is N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine is C/C=C(F)\C(C)=N\NC.
What is the InChIKey of N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine?
The InChIKey is RENHZAROABUYKK-REZHQCRGSA-N. The full InChI is InChI=1S/C6H11FN2/c1-4-6(7)5(2)9-8-3/h4,8H,1-3H3/b6-4+,9-5+.
What are the key properties of N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine?
N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine has a molecular weight of 130.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine is sourced from PubChem (CID 166922679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).