2-azido-1,3-difluoropropane

C3H5F2N3 — CID 123868704

IUPAC2-azido-1,3-difluoropropane
SMILES[N-]=[N+]=NC(CF)CF
InChIInChI=1S/C3H5F2N3/c4-1-3(2-5)7-8-6/h3H,1-2H2
InChIKeyIZABBLBCVKZYMN-UHFFFAOYSA-N
MW121.09 g/mol
LogP1.60
Rot. Bonds3

About 2-azido-1,3-difluoropropane

2-azido-1,3-difluoropropane (PubChem CID 123868704) has the molecular formula C3H5F2N3 and a molecular weight of 121.09 g/mol. Its IUPAC name is 2-azido-1,3-difluoropropane.

Molecular Properties

Compound Name2-azido-1,3-difluoropropane
PubChem CID123868704
Molecular FormulaC3H5F2N3
Molecular Weight121.09 g/mol
Exact Mass121.05
IUPAC Name2-azido-1,3-difluoropropane
SMILES[N-]=[N+]=NC(CF)CF
InChIInChI=1S/C3H5F2N3/c4-1-3(2-5)7-8-6/h3H,1-2H2
InChIKeyIZABBLBCVKZYMN-UHFFFAOYSA-N
XLogP1.60
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 51.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-1,3-difluoropropane?
The IUPAC name of 2-azido-1,3-difluoropropane (CID 123868704) is 2-azido-1,3-difluoropropane.
What is the SMILES notation for 2-azido-1,3-difluoropropane?
The canonical SMILES for 2-azido-1,3-difluoropropane is [N-]=[N+]=NC(CF)CF.
What is the InChIKey of 2-azido-1,3-difluoropropane?
The InChIKey is IZABBLBCVKZYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2N3/c4-1-3(2-5)7-8-6/h3H,1-2H2.
What are the key properties of 2-azido-1,3-difluoropropane?
2-azido-1,3-difluoropropane has a molecular weight of 121.09 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,3-difluoropropane is sourced from PubChem (CID 123868704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).