N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine

C8H15FN2 — CID 143155866

IUPACN'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine
SMILESC/C=C(\C)NCN/C=C(/C)F
InChIInChI=1S/C8H15FN2/c1-4-8(3)11-6-10-5-7(2)9/h4-5,10-11H,6H2,1-3H3/b7-5-,8-4+
InChIKeyJHKDZJWNFWOQJJ-DZAKWUEVSA-N
MW158.22 g/mol
LogP1.88
Rot. Bonds4

About N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine

N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine (PubChem CID 143155866) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine.

Molecular Properties

Compound NameN'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine
PubChem CID143155866
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC NameN'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine
SMILESC/C=C(\C)NCN/C=C(/C)F
InChIInChI=1S/C8H15FN2/c1-4-8(3)11-6-10-5-7(2)9/h4-5,10-11H,6H2,1-3H3/b7-5-,8-4+
InChIKeyJHKDZJWNFWOQJJ-DZAKWUEVSA-N
XLogP1.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine?
The IUPAC name of N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine (CID 143155866) is N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine.
What is the SMILES notation for N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine?
The canonical SMILES for N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine is C/C=C(\C)NCN/C=C(/C)F.
What is the InChIKey of N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine?
The InChIKey is JHKDZJWNFWOQJJ-DZAKWUEVSA-N. The full InChI is InChI=1S/C8H15FN2/c1-4-8(3)11-6-10-5-7(2)9/h4-5,10-11H,6H2,1-3H3/b7-5-,8-4+.
What are the key properties of N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine?
N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine has a molecular weight of 158.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-en-2-yl]-N-[(Z)-2-fluoroprop-1-enyl]methanediamine is sourced from PubChem (CID 143155866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).