4-fluoro-1-benzothiophene-2-carbonyl chloride

C9H4ClFOS — CID 119087029

IUPAC4-fluoro-1-benzothiophene-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(F)cccc2s1
InChIInChI=1S/C9H4ClFOS/c10-9(12)8-4-5-6(11)2-1-3-7(5)13-8/h1-4H
InChIKeyMVYGNOYTUKNTAN-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.42
Rot. Bonds1

About 4-fluoro-1-benzothiophene-2-carbonyl chloride

4-fluoro-1-benzothiophene-2-carbonyl chloride (PubChem CID 119087029) has the molecular formula C9H4ClFOS and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-fluoro-1-benzothiophene-2-carbonyl chloride.

Molecular Properties

Compound Name4-fluoro-1-benzothiophene-2-carbonyl chloride
PubChem CID119087029
Molecular FormulaC9H4ClFOS
Molecular Weight214.65 g/mol
Exact Mass213.97
IUPAC Name4-fluoro-1-benzothiophene-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(F)cccc2s1
InChIInChI=1S/C9H4ClFOS/c10-9(12)8-4-5-6(11)2-1-3-7(5)13-8/h1-4H
InChIKeyMVYGNOYTUKNTAN-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 55028026
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 134023621
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533
(4-methoxyphenyl) 4-fluoro-1-benzothiophene-2-carboxylate
CID 29441342
N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 30372793
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 84583540
4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 114549931
2-[ethyl-(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 54901411
2-[[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465286
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-one
CID 117194420

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-benzothiophene-2-carbonyl chloride?
The IUPAC name of 4-fluoro-1-benzothiophene-2-carbonyl chloride (CID 119087029) is 4-fluoro-1-benzothiophene-2-carbonyl chloride.
What is the SMILES notation for 4-fluoro-1-benzothiophene-2-carbonyl chloride?
The canonical SMILES for 4-fluoro-1-benzothiophene-2-carbonyl chloride is O=C(Cl)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-1-benzothiophene-2-carbonyl chloride?
The InChIKey is MVYGNOYTUKNTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFOS/c10-9(12)8-4-5-6(11)2-1-3-7(5)13-8/h1-4H.
What are the key properties of 4-fluoro-1-benzothiophene-2-carbonyl chloride?
4-fluoro-1-benzothiophene-2-carbonyl chloride has a molecular weight of 214.65 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-benzothiophene-2-carbonyl chloride is sourced from PubChem (CID 119087029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).