6-fluoro-1-benzothiophene-2-carbonyl azide

C9H4FN3OS — CID 81105011

IUPAC6-fluoro-1-benzothiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C9H4FN3OS/c10-6-2-1-5-3-8(9(14)12-13-11)15-7(5)4-6/h1-4H
InChIKeyXICHCCZNSHQUNT-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.49
Rot. Bonds1

About 6-fluoro-1-benzothiophene-2-carbonyl azide

6-fluoro-1-benzothiophene-2-carbonyl azide (PubChem CID 81105011) has the molecular formula C9H4FN3OS and a molecular weight of 221.22 g/mol. Its IUPAC name is 6-fluoro-1-benzothiophene-2-carbonyl azide.

Molecular Properties

Compound Name6-fluoro-1-benzothiophene-2-carbonyl azide
PubChem CID81105011
Molecular FormulaC9H4FN3OS
Molecular Weight221.22 g/mol
Exact Mass221.01
IUPAC Name6-fluoro-1-benzothiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C9H4FN3OS/c10-6-2-1-5-3-8(9(14)12-13-11)15-7(5)4-6/h1-4H
InChIKeyXICHCCZNSHQUNT-UHFFFAOYSA-N
XLogP3.49
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-(2-azidoethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104542
N-(4-azidobutyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 114182201
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105088
(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid
CID 88702899
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)butan-1-one
CID 114976566
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215
N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 78911895
(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104851
N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-benzothiophene-2-carbonyl azide?
The IUPAC name of 6-fluoro-1-benzothiophene-2-carbonyl azide (CID 81105011) is 6-fluoro-1-benzothiophene-2-carbonyl azide.
What is the SMILES notation for 6-fluoro-1-benzothiophene-2-carbonyl azide?
The canonical SMILES for 6-fluoro-1-benzothiophene-2-carbonyl azide is [N-]=[N+]=NC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-1-benzothiophene-2-carbonyl azide?
The InChIKey is XICHCCZNSHQUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FN3OS/c10-6-2-1-5-3-8(9(14)12-13-11)15-7(5)4-6/h1-4H.
What are the key properties of 6-fluoro-1-benzothiophene-2-carbonyl azide?
6-fluoro-1-benzothiophene-2-carbonyl azide has a molecular weight of 221.22 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-benzothiophene-2-carbonyl azide is sourced from PubChem (CID 81105011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).