2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane

C4H3F6N3 — CID 118258796

IUPAC2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(N=[N+]=[N-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6N3/c1-2(12-13-11,3(5,6)7)4(8,9)10/h1H3
InChIKeyURXMDUILKLVJHA-UHFFFAOYSA-N
MW207.08 g/mol
LogP3.18
Rot. Bonds1

About 2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane

2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane (PubChem CID 118258796) has the molecular formula C4H3F6N3 and a molecular weight of 207.08 g/mol. Its IUPAC name is 2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane.

Molecular Properties

Compound Name2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane
PubChem CID118258796
Molecular FormulaC4H3F6N3
Molecular Weight207.08 g/mol
Exact Mass207.02
IUPAC Name2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(N=[N+]=[N-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6N3/c1-2(12-13-11,3(5,6)7)4(8,9)10/h1H3
InChIKeyURXMDUILKLVJHA-UHFFFAOYSA-N
XLogP3.18
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 53.18
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-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The IUPAC name of 2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane (CID 118258796) is 2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane.
What is the SMILES notation for 2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The canonical SMILES for 2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane is CC(N=[N+]=[N-])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The InChIKey is URXMDUILKLVJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6N3/c1-2(12-13-11,3(5,6)7)4(8,9)10/h1H3.
What are the key properties of 2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane?
2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane has a molecular weight of 207.08 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane is sourced from PubChem (CID 118258796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).