2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone

C12H8ClFOS — CID 81242371

IUPAC2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C12H8ClFOS/c13-11(8-3-5-9(14)6-4-8)12(15)10-2-1-7-16-10/h1-7,11H
InChIKeyQSSFONWEFIVCNQ-UHFFFAOYSA-N
MW254.71 g/mol
LogP4.05
Rot. Bonds3

About 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone

2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone (PubChem CID 81242371) has the molecular formula C12H8ClFOS and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone
PubChem CID81242371
Molecular FormulaC12H8ClFOS
Molecular Weight254.71 g/mol
Exact Mass254.00
IUPAC Name2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C12H8ClFOS/c13-11(8-3-5-9(14)6-4-8)12(15)10-2-1-7-16-10/h1-7,11H
InChIKeyQSSFONWEFIVCNQ-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81242363
europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 157335642
(4-fluorophenyl) thiophene-2-carboxylate
CID 573740
(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360
2-(2-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone
CID 20528312
N-[1-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 134049210
2-chloro-2-(4-fluorophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 81237876
ethyl 2-chloro-3-oxo-3-thiophen-2-ylpropanoate
CID 57214731
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801
2-amino-3-oxo-3-thiophen-2-ylpropanoic acid
CID 23461562
2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone
CID 81235854
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone (CID 81242371) is 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone is O=C(c1cccs1)C(Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone?
The InChIKey is QSSFONWEFIVCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFOS/c13-11(8-3-5-9(14)6-4-8)12(15)10-2-1-7-16-10/h1-7,11H.
What are the key properties of 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone?
2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone has a molecular weight of 254.71 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 81242371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).