1-azido-2-fluoropropane

C3H6FN3 — CID 151190809

IUPAC1-azido-2-fluoropropane
SMILESCC(F)CN=[N+]=[N-]
InChIInChI=1S/C3H6FN3/c1-3(4)2-6-7-5/h3H,2H2,1H3
InChIKeyNGGWGMXLFVJXMQ-UHFFFAOYSA-N
MW103.10 g/mol
LogP1.65
Rot. Bonds2

About 1-azido-2-fluoropropane

1-azido-2-fluoropropane (PubChem CID 151190809) has the molecular formula C3H6FN3 and a molecular weight of 103.10 g/mol. Its IUPAC name is 1-azido-2-fluoropropane.

Molecular Properties

Compound Name1-azido-2-fluoropropane
PubChem CID151190809
Molecular FormulaC3H6FN3
Molecular Weight103.10 g/mol
Exact Mass103.05
IUPAC Name1-azido-2-fluoropropane
SMILESCC(F)CN=[N+]=[N-]
InChIInChI=1S/C3H6FN3/c1-3(4)2-6-7-5/h3H,2H2,1H3
InChIKeyNGGWGMXLFVJXMQ-UHFFFAOYSA-N
XLogP1.65
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-azido-2-fluoropropane 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 1-azido-2-fluoropropane?
The IUPAC name of 1-azido-2-fluoropropane (CID 151190809) is 1-azido-2-fluoropropane.
What is the SMILES notation for 1-azido-2-fluoropropane?
The canonical SMILES for 1-azido-2-fluoropropane is CC(F)CN=[N+]=[N-].
What is the InChIKey of 1-azido-2-fluoropropane?
The InChIKey is NGGWGMXLFVJXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN3/c1-3(4)2-6-7-5/h3H,2H2,1H3.
What are the key properties of 1-azido-2-fluoropropane?
1-azido-2-fluoropropane has a molecular weight of 103.10 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-fluoropropane is sourced from PubChem (CID 151190809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).