(E)-3-fluoro-2-methylbut-1-ene-1,3-diamine

C5H11FN2 — CID 130243034

IUPAC(E)-3-fluoro-2-methylbut-1-ene-1,3-diamine
SMILESC/C(=C\N)C(C)(N)F
InChIInChI=1S/C5H11FN2/c1-4(3-7)5(2,6)8/h3H,7-8H2,1-2H3/b4-3+
InChIKeyUHJVMYONNASVMN-ONEGZZNKSA-N
MW118.15 g/mol
LogP0.49
Rot. Bonds1

About (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine

(E)-3-fluoro-2-methylbut-1-ene-1,3-diamine (PubChem CID 130243034) has the molecular formula C5H11FN2 and a molecular weight of 118.15 g/mol. Its IUPAC name is (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-3-fluoro-2-methylbut-1-ene-1,3-diamine
PubChem CID130243034
Molecular FormulaC5H11FN2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC Name(E)-3-fluoro-2-methylbut-1-ene-1,3-diamine
SMILESC/C(=C\N)C(C)(N)F
InChIInChI=1S/C5H11FN2/c1-4(3-7)5(2,6)8/h3H,7-8H2,1-2H3/b4-3+
InChIKeyUHJVMYONNASVMN-ONEGZZNKSA-N
XLogP0.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine?
The IUPAC name of (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine (CID 130243034) is (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine.
What is the SMILES notation for (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine?
The canonical SMILES for (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine is C/C(=C\N)C(C)(N)F.
What is the InChIKey of (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine?
The InChIKey is UHJVMYONNASVMN-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H11FN2/c1-4(3-7)5(2,6)8/h3H,7-8H2,1-2H3/b4-3+.
What are the key properties of (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine?
(E)-3-fluoro-2-methylbut-1-ene-1,3-diamine has a molecular weight of 118.15 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-methylbut-1-ene-1,3-diamine is sourced from PubChem (CID 130243034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).