2-azido-1-fluoropropane

C3H6FN3 — CID 90071862

IUPAC2-azido-1-fluoropropane
SMILESCC(CF)N=[N+]=[N-]
InChIInChI=1S/C3H6FN3/c1-3(2-4)6-7-5/h3H,2H2,1H3
InChIKeyDAHBPRDVHNEJAA-UHFFFAOYSA-N
MW103.10 g/mol
LogP1.65
Rot. Bonds2

About 2-azido-1-fluoropropane

2-azido-1-fluoropropane (PubChem CID 90071862) has the molecular formula C3H6FN3 and a molecular weight of 103.10 g/mol. Its IUPAC name is 2-azido-1-fluoropropane.

Molecular Properties

Compound Name2-azido-1-fluoropropane
PubChem CID90071862
Molecular FormulaC3H6FN3
Molecular Weight103.10 g/mol
Exact Mass103.05
IUPAC Name2-azido-1-fluoropropane
SMILESCC(CF)N=[N+]=[N-]
InChIInChI=1S/C3H6FN3/c1-3(2-4)6-7-5/h3H,2H2,1H3
InChIKeyDAHBPRDVHNEJAA-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'}

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Related Compounds

2-Azidopropane
CID 12405073
3-Azido-1,1,1-trifluorobutane
CID 20278114
1,2-Diazido-3-fluoropropane
CID 59891957
2-Azido-1,1,1-trifluoropropane
CID 89342915
Methyl(1,1,1-trifluoropropan-2-yl)diazene
CID 90852667
2-Azido-1,3-difluoropropane
CID 123868704
1-Azido-1-fluoropropane
CID 126573783
Fluoro(propan-2-yl)diazene
CID 140984474
(2R)-1-azido-2-fluoropropane
CID 151190808
1-Azido-2-fluoropropane
CID 151190809
(2S)-2-azido-1,1,1-trifluoropropane
CID 152498896
Propan-2-yl(trifluoromethyl)diazene
CID 102516684

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-fluoropropane?
The IUPAC name of 2-azido-1-fluoropropane (CID 90071862) is 2-azido-1-fluoropropane.
What is the SMILES notation for 2-azido-1-fluoropropane?
The canonical SMILES for 2-azido-1-fluoropropane is CC(CF)N=[N+]=[N-].
What is the InChIKey of 2-azido-1-fluoropropane?
The InChIKey is DAHBPRDVHNEJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN3/c1-3(2-4)6-7-5/h3H,2H2,1H3.
What are the key properties of 2-azido-1-fluoropropane?
2-azido-1-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 2-azido-1-fluoropropane is sourced from PubChem (CID 90071862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).