(1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine

C4H7FN2 — CID 89152800

IUPAC(1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine
SMILESN/C=C\C=C(/N)F
InChIInChI=1S/C4H7FN2/c5-4(7)2-1-3-6/h1-3H,6-7H2/b3-1-,4-2-
InChIKeyFCFSEUGDLSOMIE-CCAGOZQPSA-N
MW102.11 g/mol
LogP0.23
Rot. Bonds1

About (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine

(1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine (PubChem CID 89152800) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine
PubChem CID89152800
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name(1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine
SMILESN/C=C\C=C(/N)F
InChIInChI=1S/C4H7FN2/c5-4(7)2-1-3-6/h1-3H,6-7H2/b3-1-,4-2-
InChIKeyFCFSEUGDLSOMIE-CCAGOZQPSA-N
XLogP0.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine (CID 89152800) is (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine is N/C=C\C=C(/N)F.
What is the InChIKey of (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine?
The InChIKey is FCFSEUGDLSOMIE-CCAGOZQPSA-N. The full InChI is InChI=1S/C4H7FN2/c5-4(7)2-1-3-6/h1-3H,6-7H2/b3-1-,4-2-.
What are the key properties of (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine?
(1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine has a molecular weight of 102.11 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-fluorobuta-1,3-diene-1,4-diamine is sourced from PubChem (CID 89152800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).