2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride

C17H10ClFOS — CID 87542215

IUPAC2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1cc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H10ClFOS/c18-17(20)15-4-2-1-3-14(15)16-9-12(10-21-16)11-5-7-13(19)8-6-11/h1-10H
InChIKeyFDSMGLTVIUDMEV-UHFFFAOYSA-N
MW316.78 g/mol
LogP5.60
Rot. Bonds3

About 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride

2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride (PubChem CID 87542215) has the molecular formula C17H10ClFOS and a molecular weight of 316.78 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride
PubChem CID87542215
Molecular FormulaC17H10ClFOS
Molecular Weight316.78 g/mol
Exact Mass316.01
IUPAC Name2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1cc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H10ClFOS/c18-17(20)15-4-2-1-3-14(15)16-9-12(10-21-16)11-5-7-13(19)8-6-11/h1-10H
InChIKeyFDSMGLTVIUDMEV-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.78
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride?
The IUPAC name of 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride (CID 87542215) is 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride.
What is the SMILES notation for 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride?
The canonical SMILES for 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride is O=C(Cl)c1ccccc1-c1cc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride?
The InChIKey is FDSMGLTVIUDMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFOS/c18-17(20)15-4-2-1-3-14(15)16-9-12(10-21-16)11-5-7-13(19)8-6-11/h1-10H.
What are the key properties of 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride?
2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride has a molecular weight of 316.78 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride is sourced from PubChem (CID 87542215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).