2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C6H7F6N3O2 — CID 171362973

IUPAC2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILES[N-]=[N+]=NCCOCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6N3O2/c7-5(8,9)4(16,6(10,11)12)3-17-2-1-14-15-13/h16H,1-3H2
InChIKeySZKKYJMMAQEASB-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.17
Rot. Bonds5

About 2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 171362973) has the molecular formula C6H7F6N3O2 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID171362973
Molecular FormulaC6H7F6N3O2
Molecular Weight267.13 g/mol
Exact Mass267.04
IUPAC Name2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILES[N-]=[N+]=NCCOCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6N3O2/c7-5(8,9)4(16,6(10,11)12)3-17-2-1-14-15-13/h16H,1-3H2
InChIKeySZKKYJMMAQEASB-UHFFFAOYSA-N
XLogP2.17
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 171362973) is 2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is [N-]=[N+]=NCCOCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is SZKKYJMMAQEASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6N3O2/c7-5(8,9)4(16,6(10,11)12)3-17-2-1-14-15-13/h16H,1-3H2.
What are the key properties of 2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 267.13 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 171362973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).