(E)-1-fluoroethene-1,2-diamine

C2H5FN2 — CID 174009948

IUPAC(E)-1-fluoroethene-1,2-diamine
SMILESN/C=C(\N)F
InChIInChI=1S/C2H5FN2/c3-2(5)1-4/h1H,4-5H2/b2-1-
InChIKeyZHLGHDJENQWMNR-UPHRSURJSA-N
MW76.07 g/mol
LogP-0.33
Rot. Bonds

About (E)-1-fluoroethene-1,2-diamine

(E)-1-fluoroethene-1,2-diamine (PubChem CID 174009948) has the molecular formula C2H5FN2 and a molecular weight of 76.07 g/mol. Its IUPAC name is (E)-1-fluoroethene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-fluoroethene-1,2-diamine
PubChem CID174009948
Molecular FormulaC2H5FN2
Molecular Weight76.07 g/mol
Exact Mass76.04
IUPAC Name(E)-1-fluoroethene-1,2-diamine
SMILESN/C=C(\N)F
InChIInChI=1S/C2H5FN2/c3-2(5)1-4/h1H,4-5H2/b2-1-
InChIKeyZHLGHDJENQWMNR-UPHRSURJSA-N
XLogP-0.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 5-0.33
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)-1-fluoroethene-1,2-diamine?
The IUPAC name of (E)-1-fluoroethene-1,2-diamine (CID 174009948) is (E)-1-fluoroethene-1,2-diamine.
What is the SMILES notation for (E)-1-fluoroethene-1,2-diamine?
The canonical SMILES for (E)-1-fluoroethene-1,2-diamine is N/C=C(\N)F.
What is the InChIKey of (E)-1-fluoroethene-1,2-diamine?
The InChIKey is ZHLGHDJENQWMNR-UPHRSURJSA-N. The full InChI is InChI=1S/C2H5FN2/c3-2(5)1-4/h1H,4-5H2/b2-1-.
What are the key properties of (E)-1-fluoroethene-1,2-diamine?
(E)-1-fluoroethene-1,2-diamine has a molecular weight of 76.07 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoroethene-1,2-diamine is sourced from PubChem (CID 174009948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).