(Z)-1-N-fluorobut-1-ene-1,3-diamine

C4H9FN2 — CID 143707869

IUPAC(Z)-1-N-fluorobut-1-ene-1,3-diamine
SMILESCC(N)/C=C\NF
InChIInChI=1S/C4H9FN2/c1-4(6)2-3-7-5/h2-4,7H,6H2,1H3/b3-2-
InChIKeyDZIXFJHRWFIENY-IHWYPQMZSA-N
MW104.13 g/mol
LogP0.32
Rot. Bonds2

About (Z)-1-N-fluorobut-1-ene-1,3-diamine

(Z)-1-N-fluorobut-1-ene-1,3-diamine (PubChem CID 143707869) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is (Z)-1-N-fluorobut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N-fluorobut-1-ene-1,3-diamine
PubChem CID143707869
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name(Z)-1-N-fluorobut-1-ene-1,3-diamine
SMILESCC(N)/C=C\NF
InChIInChI=1S/C4H9FN2/c1-4(6)2-3-7-5/h2-4,7H,6H2,1H3/b3-2-
InChIKeyDZIXFJHRWFIENY-IHWYPQMZSA-N
XLogP0.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-fluorobut-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-N-fluorobut-1-ene-1,3-diamine (CID 143707869) is (Z)-1-N-fluorobut-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N-fluorobut-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N-fluorobut-1-ene-1,3-diamine is CC(N)/C=C\NF.
What is the InChIKey of (Z)-1-N-fluorobut-1-ene-1,3-diamine?
The InChIKey is DZIXFJHRWFIENY-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H9FN2/c1-4(6)2-3-7-5/h2-4,7H,6H2,1H3/b3-2-.
What are the key properties of (Z)-1-N-fluorobut-1-ene-1,3-diamine?
(Z)-1-N-fluorobut-1-ene-1,3-diamine has a molecular weight of 104.13 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-fluorobut-1-ene-1,3-diamine is sourced from PubChem (CID 143707869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).