N'-(3-fluoroprop-1-en-2-yl)methanediamine

C4H9FN2 — CID 139430564

IUPACN'-(3-fluoroprop-1-en-2-yl)methanediamine
SMILESC=C(CF)NCN
InChIInChI=1S/C4H9FN2/c1-4(2-5)7-3-6/h7H,1-3,6H2
InChIKeyOBNNSLYMMHRMNV-UHFFFAOYSA-N
MW104.13 g/mol
LogP-0.02
Rot. Bonds3

About N'-(3-fluoroprop-1-en-2-yl)methanediamine

N'-(3-fluoroprop-1-en-2-yl)methanediamine (PubChem CID 139430564) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is N'-(3-fluoroprop-1-en-2-yl)methanediamine.

Molecular Properties

Compound NameN'-(3-fluoroprop-1-en-2-yl)methanediamine
PubChem CID139430564
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC NameN'-(3-fluoroprop-1-en-2-yl)methanediamine
SMILESC=C(CF)NCN
InChIInChI=1S/C4H9FN2/c1-4(2-5)7-3-6/h7H,1-3,6H2
InChIKeyOBNNSLYMMHRMNV-UHFFFAOYSA-N
XLogP-0.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoroprop-1-en-2-yl)methanediamine?
The IUPAC name of N'-(3-fluoroprop-1-en-2-yl)methanediamine (CID 139430564) is N'-(3-fluoroprop-1-en-2-yl)methanediamine.
What is the SMILES notation for N'-(3-fluoroprop-1-en-2-yl)methanediamine?
The canonical SMILES for N'-(3-fluoroprop-1-en-2-yl)methanediamine is C=C(CF)NCN.
What is the InChIKey of N'-(3-fluoroprop-1-en-2-yl)methanediamine?
The InChIKey is OBNNSLYMMHRMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c1-4(2-5)7-3-6/h7H,1-3,6H2.
What are the key properties of N'-(3-fluoroprop-1-en-2-yl)methanediamine?
N'-(3-fluoroprop-1-en-2-yl)methanediamine has a molecular weight of 104.13 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoroprop-1-en-2-yl)methanediamine is sourced from PubChem (CID 139430564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).