5-chlorothiophene-2-carbonyl fluoride

C5H2ClFOS — CID 119084238

IUPAC5-chlorothiophene-2-carbonyl fluoride
SMILESO=C(F)c1ccc(Cl)s1
InChIInChI=1S/C5H2ClFOS/c6-4-2-1-3(9-4)5(7)8/h1-2H
InChIKeyYKAWLXOEKLHBIJ-UHFFFAOYSA-N
MW164.59 g/mol
LogP2.51
Rot. Bonds1

About 5-chlorothiophene-2-carbonyl fluoride

5-chlorothiophene-2-carbonyl fluoride (PubChem CID 119084238) has the molecular formula C5H2ClFOS and a molecular weight of 164.59 g/mol. Its IUPAC name is 5-chlorothiophene-2-carbonyl fluoride.

Molecular Properties

Compound Name5-chlorothiophene-2-carbonyl fluoride
PubChem CID119084238
Molecular FormulaC5H2ClFOS
Molecular Weight164.59 g/mol
Exact Mass163.95
IUPAC Name5-chlorothiophene-2-carbonyl fluoride
SMILESO=C(F)c1ccc(Cl)s1
InChIInChI=1S/C5H2ClFOS/c6-4-2-1-3(9-4)5(7)8/h1-2H
InChIKeyYKAWLXOEKLHBIJ-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 52.51
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

2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
CID 131075408
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
CID 116573539
(5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone
CID 146163932
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482
(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
5-chloro-N-cyanothiophene-2-carboxamide
CID 79194794
2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 82117947
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43338883

Frequently Asked Questions

What is the IUPAC name of 5-chlorothiophene-2-carbonyl fluoride?
The IUPAC name of 5-chlorothiophene-2-carbonyl fluoride (CID 119084238) is 5-chlorothiophene-2-carbonyl fluoride.
What is the SMILES notation for 5-chlorothiophene-2-carbonyl fluoride?
The canonical SMILES for 5-chlorothiophene-2-carbonyl fluoride is O=C(F)c1ccc(Cl)s1.
What is the InChIKey of 5-chlorothiophene-2-carbonyl fluoride?
The InChIKey is YKAWLXOEKLHBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFOS/c6-4-2-1-3(9-4)5(7)8/h1-2H.
What are the key properties of 5-chlorothiophene-2-carbonyl fluoride?
5-chlorothiophene-2-carbonyl fluoride has a molecular weight of 164.59 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorothiophene-2-carbonyl fluoride is sourced from PubChem (CID 119084238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).