1,2-diazido-3-fluoropropane

C3H5FN6 — CID 59891957

IUPAC1,2-diazido-3-fluoropropane
SMILES[N-]=[N+]=NCC(CF)N=[N+]=[N-]
InChIInChI=1S/C3H5FN6/c4-1-3(8-10-6)2-7-9-5/h3H,1-2H2
InChIKeyVSGULGCWPCPFPZ-UHFFFAOYSA-N
MW144.11 g/mol
LogP1.95
Rot. Bonds4

About 1,2-diazido-3-fluoropropane

1,2-diazido-3-fluoropropane (PubChem CID 59891957) has the molecular formula C3H5FN6 and a molecular weight of 144.11 g/mol. Its IUPAC name is 1,2-diazido-3-fluoropropane.

Molecular Properties

Compound Name1,2-diazido-3-fluoropropane
PubChem CID59891957
Molecular FormulaC3H5FN6
Molecular Weight144.11 g/mol
Exact Mass144.06
IUPAC Name1,2-diazido-3-fluoropropane
SMILES[N-]=[N+]=NCC(CF)N=[N+]=[N-]
InChIInChI=1S/C3H5FN6/c4-1-3(8-10-6)2-7-9-5/h3H,1-2H2
InChIKeyVSGULGCWPCPFPZ-UHFFFAOYSA-N
XLogP1.95
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,2-diazido-3-fluoropropane?
The IUPAC name of 1,2-diazido-3-fluoropropane (CID 59891957) is 1,2-diazido-3-fluoropropane.
What is the SMILES notation for 1,2-diazido-3-fluoropropane?
The canonical SMILES for 1,2-diazido-3-fluoropropane is [N-]=[N+]=NCC(CF)N=[N+]=[N-].
What is the InChIKey of 1,2-diazido-3-fluoropropane?
The InChIKey is VSGULGCWPCPFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FN6/c4-1-3(8-10-6)2-7-9-5/h3H,1-2H2.
What are the key properties of 1,2-diazido-3-fluoropropane?
1,2-diazido-3-fluoropropane has a molecular weight of 144.11 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazido-3-fluoropropane is sourced from PubChem (CID 59891957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).