2-azido-1,1,1-trifluoropropane

C3H4F3N3 — CID 89342915

IUPAC2-azido-1,1,1-trifluoropropane
SMILESCC(N=[N+]=[N-])C(F)(F)F
InChIInChI=1S/C3H4F3N3/c1-2(8-9-7)3(4,5)6/h2H,1H3
InChIKeyYDATUYHCJRBIEC-UHFFFAOYSA-N
MW139.08 g/mol
LogP2.25
Rot. Bonds1

About 2-azido-1,1,1-trifluoropropane

2-azido-1,1,1-trifluoropropane (PubChem CID 89342915) has the molecular formula C3H4F3N3 and a molecular weight of 139.08 g/mol. Its IUPAC name is 2-azido-1,1,1-trifluoropropane.

Molecular Properties

Compound Name2-azido-1,1,1-trifluoropropane
PubChem CID89342915
Molecular FormulaC3H4F3N3
Molecular Weight139.08 g/mol
Exact Mass139.04
IUPAC Name2-azido-1,1,1-trifluoropropane
SMILESCC(N=[N+]=[N-])C(F)(F)F
InChIInChI=1S/C3H4F3N3/c1-2(8-9-7)3(4,5)6/h2H,1H3
InChIKeyYDATUYHCJRBIEC-UHFFFAOYSA-N
XLogP2.25
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 52.25
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-1,1,1-trifluoropropane?
The IUPAC name of 2-azido-1,1,1-trifluoropropane (CID 89342915) is 2-azido-1,1,1-trifluoropropane.
What is the SMILES notation for 2-azido-1,1,1-trifluoropropane?
The canonical SMILES for 2-azido-1,1,1-trifluoropropane is CC(N=[N+]=[N-])C(F)(F)F.
What is the InChIKey of 2-azido-1,1,1-trifluoropropane?
The InChIKey is YDATUYHCJRBIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3N3/c1-2(8-9-7)3(4,5)6/h2H,1H3.
What are the key properties of 2-azido-1,1,1-trifluoropropane?
2-azido-1,1,1-trifluoropropane has a molecular weight of 139.08 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,1,1-trifluoropropane is sourced from PubChem (CID 89342915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).