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

C5H10FN3 — CID 174030401

IUPAC3-(2-fluoroethylimino)prop-1-ene-1,2-diamine
SMILESNC=C(N)/C=N/CCF
InChIInChI=1S/C5H10FN3/c6-1-2-9-4-5(8)3-7/h3-4H,1-2,7-8H2/b5-3?,9-4+
InChIKeyWQTINDKNLRLBMW-TVWRHFHJSA-N
MW131.15 g/mol
LogP-0.21
Rot. Bonds3

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

3-(2-fluoroethylimino)prop-1-ene-1,2-diamine (PubChem CID 174030401) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-(2-fluoroethylimino)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name3-(2-fluoroethylimino)prop-1-ene-1,2-diamine
PubChem CID174030401
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name3-(2-fluoroethylimino)prop-1-ene-1,2-diamine
SMILESNC=C(N)/C=N/CCF
InChIInChI=1S/C5H10FN3/c6-1-2-9-4-5(8)3-7/h3-4H,1-2,7-8H2/b5-3?,9-4+
InChIKeyWQTINDKNLRLBMW-TVWRHFHJSA-N
XLogP-0.21
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylimino)prop-1-ene-1,2-diamine?
The IUPAC name of 3-(2-fluoroethylimino)prop-1-ene-1,2-diamine (CID 174030401) is 3-(2-fluoroethylimino)prop-1-ene-1,2-diamine.
What is the SMILES notation for 3-(2-fluoroethylimino)prop-1-ene-1,2-diamine?
The canonical SMILES for 3-(2-fluoroethylimino)prop-1-ene-1,2-diamine is NC=C(N)/C=N/CCF.
What is the InChIKey of 3-(2-fluoroethylimino)prop-1-ene-1,2-diamine?
The InChIKey is WQTINDKNLRLBMW-TVWRHFHJSA-N. The full InChI is InChI=1S/C5H10FN3/c6-1-2-9-4-5(8)3-7/h3-4H,1-2,7-8H2/b5-3?,9-4+.
What are the key properties of 3-(2-fluoroethylimino)prop-1-ene-1,2-diamine?
3-(2-fluoroethylimino)prop-1-ene-1,2-diamine has a molecular weight of 131.15 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylimino)prop-1-ene-1,2-diamine is sourced from PubChem (CID 174030401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).