(E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine

C5H10FN3 — CID 164564506

IUPAC(E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine
SMILESCC(F)/N=C/C(N)=C\N
InChIInChI=1S/C5H10FN3/c1-4(6)9-3-5(8)2-7/h2-4H,7-8H2,1H3/b5-2+,9-3+
InChIKeyRQNHZFLXNIKIOP-SKRMJIETSA-N
MW131.15 g/mol
LogP0.13
Rot. Bonds2

About (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine

(E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine (PubChem CID 164564506) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine
PubChem CID164564506
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name(E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine
SMILESCC(F)/N=C/C(N)=C\N
InChIInChI=1S/C5H10FN3/c1-4(6)9-3-5(8)2-7/h2-4H,7-8H2,1H3/b5-2+,9-3+
InChIKeyRQNHZFLXNIKIOP-SKRMJIETSA-N
XLogP0.13
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine?
The IUPAC name of (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine (CID 164564506) is (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine.
What is the SMILES notation for (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine?
The canonical SMILES for (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine is CC(F)/N=C/C(N)=C\N.
What is the InChIKey of (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine?
The InChIKey is RQNHZFLXNIKIOP-SKRMJIETSA-N. The full InChI is InChI=1S/C5H10FN3/c1-4(6)9-3-5(8)2-7/h2-4H,7-8H2,1H3/b5-2+,9-3+.
What are the key properties of (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine?
(E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine has a molecular weight of 131.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine is sourced from PubChem (CID 164564506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).