N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide

C13H10F6N4O2 — CID 91198965

IUPACN-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide
SMILES[N-]=[N+]=NC1COCC1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F6N4O2/c14-12(15,16)7-1-6(2-8(3-7)13(17,18)19)11(24)21-9-4-25-5-10(9)22-23-20/h1-3,9-10H,4-5H2,(H,21,24)
InChIKeyCFCQJURSTZWGPF-UHFFFAOYSA-N
MW368.24 g/mol
LogP3.53
Rot. Bonds3

About N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide

N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 91198965) has the molecular formula C13H10F6N4O2 and a molecular weight of 368.24 g/mol. Its IUPAC name is N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID91198965
Molecular FormulaC13H10F6N4O2
Molecular Weight368.24 g/mol
Exact Mass368.07
IUPAC NameN-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide
SMILES[N-]=[N+]=NC1COCC1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F6N4O2/c14-12(15,16)7-1-6(2-8(3-7)13(17,18)19)11(24)21-9-4-25-5-10(9)22-23-20/h1-3,9-10H,4-5H2,(H,21,24)
InChIKeyCFCQJURSTZWGPF-UHFFFAOYSA-N
XLogP3.53
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide (CID 91198965) is N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide is [N-]=[N+]=NC1COCC1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is CFCQJURSTZWGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N4O2/c14-12(15,16)7-1-6(2-8(3-7)13(17,18)19)11(24)21-9-4-25-5-10(9)22-23-20/h1-3,9-10H,4-5H2,(H,21,24).
What are the key properties of N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 368.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidooxolan-3-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 91198965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).