(E)-1-fluoro-N-methylethene-1,2-diamine

C3H7FN2 — CID 143821709

IUPAC(E)-1-fluoro-N-methylethene-1,2-diamine
SMILESCN/C(F)=C\N
InChIInChI=1S/C3H7FN2/c1-6-3(4)2-5/h2,6H,5H2,1H3/b3-2-
InChIKeyXAJODBKCKPRUCM-IHWYPQMZSA-N
MW90.10 g/mol
LogP-0.07
Rot. Bonds1

About (E)-1-fluoro-N-methylethene-1,2-diamine

(E)-1-fluoro-N-methylethene-1,2-diamine (PubChem CID 143821709) has the molecular formula C3H7FN2 and a molecular weight of 90.10 g/mol. Its IUPAC name is (E)-1-fluoro-N-methylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-fluoro-N-methylethene-1,2-diamine
PubChem CID143821709
Molecular FormulaC3H7FN2
Molecular Weight90.10 g/mol
Exact Mass90.06
IUPAC Name(E)-1-fluoro-N-methylethene-1,2-diamine
SMILESCN/C(F)=C\N
InChIInChI=1S/C3H7FN2/c1-6-3(4)2-5/h2,6H,5H2,1H3/b3-2-
InChIKeyXAJODBKCKPRUCM-IHWYPQMZSA-N
XLogP-0.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 5-0.07
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-fluoro-N-methylethene-1,2-diamine?
The IUPAC name of (E)-1-fluoro-N-methylethene-1,2-diamine (CID 143821709) is (E)-1-fluoro-N-methylethene-1,2-diamine.
What is the SMILES notation for (E)-1-fluoro-N-methylethene-1,2-diamine?
The canonical SMILES for (E)-1-fluoro-N-methylethene-1,2-diamine is CN/C(F)=C\N.
What is the InChIKey of (E)-1-fluoro-N-methylethene-1,2-diamine?
The InChIKey is XAJODBKCKPRUCM-IHWYPQMZSA-N. The full InChI is InChI=1S/C3H7FN2/c1-6-3(4)2-5/h2,6H,5H2,1H3/b3-2-.
What are the key properties of (E)-1-fluoro-N-methylethene-1,2-diamine?
(E)-1-fluoro-N-methylethene-1,2-diamine has a molecular weight of 90.10 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-N-methylethene-1,2-diamine is sourced from PubChem (CID 143821709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).