(E)-3-fluorobut-2-ene-1,2-diamine

C4H9FN2 — CID 139576028

IUPAC(E)-3-fluorobut-2-ene-1,2-diamine
SMILESC/C(F)=C(\N)CN
InChIInChI=1S/C4H9FN2/c1-3(5)4(7)2-6/h2,6-7H2,1H3/b4-3+
InChIKeySTNSWKGBPIRFDK-ONEGZZNKSA-N
MW104.13 g/mol
LogP0.10
Rot. Bonds1

About (E)-3-fluorobut-2-ene-1,2-diamine

(E)-3-fluorobut-2-ene-1,2-diamine (PubChem CID 139576028) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is (E)-3-fluorobut-2-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-fluorobut-2-ene-1,2-diamine
PubChem CID139576028
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name(E)-3-fluorobut-2-ene-1,2-diamine
SMILESC/C(F)=C(\N)CN
InChIInChI=1S/C4H9FN2/c1-3(5)4(7)2-6/h2,6-7H2,1H3/b4-3+
InChIKeySTNSWKGBPIRFDK-ONEGZZNKSA-N
XLogP0.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-3-fluorobut-2-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine
CID 139576336
(E)-2-fluoro-1-N-methylbut-2-ene-1,3-diamine
CID 146384600
(E)-3-fluoropent-2-ene-1,2-diamine
CID 167222079
3-Methylbut-2-ene-1,2-diamine
CID 88007309
(E)-but-2-ene-1,2,3-triamine
CID 88556316
(E)-but-2-ene-1,1,2,3-tetramine
CID 141180855
(Z)-but-2-ene-1,1,2,3-tetramine
CID 164055753
(Z)-but-2-ene-1,2,3-triamine
CID 164139385

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluorobut-2-ene-1,2-diamine?
The IUPAC name of (E)-3-fluorobut-2-ene-1,2-diamine (CID 139576028) is (E)-3-fluorobut-2-ene-1,2-diamine.
What is the SMILES notation for (E)-3-fluorobut-2-ene-1,2-diamine?
The canonical SMILES for (E)-3-fluorobut-2-ene-1,2-diamine is C/C(F)=C(\N)CN.
What is the InChIKey of (E)-3-fluorobut-2-ene-1,2-diamine?
The InChIKey is STNSWKGBPIRFDK-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H9FN2/c1-3(5)4(7)2-6/h2,6-7H2,1H3/b4-3+.
What are the key properties of (E)-3-fluorobut-2-ene-1,2-diamine?
(E)-3-fluorobut-2-ene-1,2-diamine has a molecular weight of 104.13 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluorobut-2-ene-1,2-diamine is sourced from PubChem (CID 139576028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).