3-fluoro-1-N-methylpropane-1,2-diamine

C4H11FN2 — CID 89240852

IUPAC3-fluoro-1-N-methylpropane-1,2-diamine
SMILESCNCC(N)CF
InChIInChI=1S/C4H11FN2/c1-7-3-4(6)2-5/h4,7H,2-3,6H2,1H3
InChIKeyNTUNMGJPDQUMRP-UHFFFAOYSA-N
MW106.14 g/mol
LogP-0.50
Rot. Bonds3

About 3-fluoro-1-N-methylpropane-1,2-diamine

3-fluoro-1-N-methylpropane-1,2-diamine (PubChem CID 89240852) has the molecular formula C4H11FN2 and a molecular weight of 106.14 g/mol. Its IUPAC name is 3-fluoro-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-methylpropane-1,2-diamine
PubChem CID89240852
Molecular FormulaC4H11FN2
Molecular Weight106.14 g/mol
Exact Mass106.09
IUPAC Name3-fluoro-1-N-methylpropane-1,2-diamine
SMILESCNCC(N)CF
InChIInChI=1S/C4H11FN2/c1-7-3-4(6)2-5/h4,7H,2-3,6H2,1H3
InChIKeyNTUNMGJPDQUMRP-UHFFFAOYSA-N
XLogP-0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-N-methylpropane-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-methylpropane-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-methylpropane-1,2-diamine (CID 89240852) is 3-fluoro-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-methylpropane-1,2-diamine is CNCC(N)CF.
What is the InChIKey of 3-fluoro-1-N-methylpropane-1,2-diamine?
The InChIKey is NTUNMGJPDQUMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN2/c1-7-3-4(6)2-5/h4,7H,2-3,6H2,1H3.
What are the key properties of 3-fluoro-1-N-methylpropane-1,2-diamine?
3-fluoro-1-N-methylpropane-1,2-diamine has a molecular weight of 106.14 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 89240852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).