5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide

C12H6F3N3O3 — CID 19014305

IUPAC5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C12H6F3N3O3/c13-12(14,15)21-8-3-1-7(2-4-8)9-5-6-10(20-9)11(19)17-18-16/h1-6H
InChIKeyIHPRYSBUTWEEBA-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.30
Rot. Bonds3

About 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide

5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide (PubChem CID 19014305) has the molecular formula C12H6F3N3O3 and a molecular weight of 297.19 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide
PubChem CID19014305
Molecular FormulaC12H6F3N3O3
Molecular Weight297.19 g/mol
Exact Mass297.04
IUPAC Name5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C12H6F3N3O3/c13-12(14,15)21-8-3-1-7(2-4-8)9-5-6-10(20-9)11(19)17-18-16/h1-6H
InChIKeyIHPRYSBUTWEEBA-UHFFFAOYSA-N
XLogP4.30
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.30
H-Bond Donors ≤ 50
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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Related Compounds

3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide
CID 170876267
2-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 16790000
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carbonyl azide
CID 135345807
N-[1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]isoquinolin-5-yl]-5-phenylfuran-2-carboxamide
CID 59579294
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
CID 1227063
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
4-[4-(trifluoromethoxy)phenyl]benzoate
CID 7016769
3-hydroxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 103446073
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide (CID 19014305) is 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide is [N-]=[N+]=NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide?
The InChIKey is IHPRYSBUTWEEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O3/c13-12(14,15)21-8-3-1-7(2-4-8)9-5-6-10(20-9)11(19)17-18-16/h1-6H.
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide?
5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide has a molecular weight of 297.19 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide is sourced from PubChem (CID 19014305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).