2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate

C16H6F10N6O4 — CID 175758906

IUPAC2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate
SMILES[N-]=[N+]=NC1=C(F)C(F)C(F)(C(=O)OCCOC(=O)C2(F)C(F)=C(F)C(N=[N+]=[N-])=C(F)C2F)C(F)=C1F
InChIInChI=1S/C16H6F10N6O4/c17-3-7(29-31-27)4(18)10(22)15(25,9(3)21)13(33)35-1-2-36-14(34)16(26)11(23)5(19)8(30-32-28)6(20)12(16)24/h9,11H,1-2H2
InChIKeyZLSKGPILXNRQCB-UHFFFAOYSA-N
MW536.24 g/mol
LogP5.48
Rot. Bonds7

About 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate

2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate (PubChem CID 175758906) has the molecular formula C16H6F10N6O4 and a molecular weight of 536.24 g/mol. Its IUPAC name is 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Name2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate
PubChem CID175758906
Molecular FormulaC16H6F10N6O4
Molecular Weight536.24 g/mol
Exact Mass536.03
IUPAC Name2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate
SMILES[N-]=[N+]=NC1=C(F)C(F)C(F)(C(=O)OCCOC(=O)C2(F)C(F)=C(F)C(N=[N+]=[N-])=C(F)C2F)C(F)=C1F
InChIInChI=1S/C16H6F10N6O4/c17-3-7(29-31-27)4(18)10(22)15(25,9(3)21)13(33)35-1-2-36-14(34)16(26)11(23)5(19)8(30-32-28)6(20)12(16)24/h9,11H,1-2H2
InChIKeyZLSKGPILXNRQCB-UHFFFAOYSA-N
XLogP5.48
TPSA150.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.24
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate (CID 175758906) is 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate is [N-]=[N+]=NC1=C(F)C(F)C(F)(C(=O)OCCOC(=O)C2(F)C(F)=C(F)C(N=[N+]=[N-])=C(F)C2F)C(F)=C1F.
What is the InChIKey of 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate?
The InChIKey is ZLSKGPILXNRQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F10N6O4/c17-3-7(29-31-27)4(18)10(22)15(25,9(3)21)13(33)35-1-2-36-14(34)16(26)11(23)5(19)8(30-32-28)6(20)12(16)24/h9,11H,1-2H2.
What are the key properties of 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate?
2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate has a molecular weight of 536.24 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carbonyl)oxyethyl 4-azido-1,2,3,5,6-pentafluorocyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 175758906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).