(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone

C12H7Cl2FOS — CID 102762924

IUPAC(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2F)sc1Cl
InChIInChI=1S/C12H7Cl2FOS/c1-6-4-10(17-12(6)14)11(16)8-3-2-7(13)5-9(8)15/h2-5H,1H3
InChIKeyPWOURJNQLOQQRD-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.73
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone

(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (PubChem CID 102762924) has the molecular formula C12H7Cl2FOS and a molecular weight of 289.16 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
PubChem CID102762924
Molecular FormulaC12H7Cl2FOS
Molecular Weight289.16 g/mol
Exact Mass287.96
IUPAC Name(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2F)sc1Cl
InChIInChI=1S/C12H7Cl2FOS/c1-6-4-10(17-12(6)14)11(16)8-3-2-7(13)5-9(8)15/h2-5H,1H3
InChIKeyPWOURJNQLOQQRD-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115791484
(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762871
(2-bromo-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762964
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 114971655
(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102763071

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (CID 102762924) is (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is Cc1cc(C(=O)c2ccc(Cl)cc2F)sc1Cl.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The InChIKey is PWOURJNQLOQQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FOS/c1-6-4-10(17-12(6)14)11(16)8-3-2-7(13)5-9(8)15/h2-5H,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone has a molecular weight of 289.16 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102762924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).