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

C12H7Cl2FOS — CID 102763206

IUPAC(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cccc(Cl)c2F)sc1Cl
InChIInChI=1S/C12H7Cl2FOS/c1-6-5-9(17-12(6)14)11(16)7-3-2-4-8(13)10(7)15/h2-5H,1H3
InChIKeyKMINZEVXKJMOEX-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.73
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone

(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (PubChem CID 102763206) has the molecular formula C12H7Cl2FOS and a molecular weight of 289.16 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
PubChem CID102763206
Molecular FormulaC12H7Cl2FOS
Molecular Weight289.16 g/mol
Exact Mass287.96
IUPAC Name(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cccc(Cl)c2F)sc1Cl
InChIInChI=1S/C12H7Cl2FOS/c1-6-5-9(17-12(6)14)11(16)7-3-2-4-8(13)10(7)15/h2-5H,1H3
InChIKeyKMINZEVXKJMOEX-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

(2-bromo-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762964
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635
(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762924
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
(3-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 64712749
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone
CID 81265163
(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762871
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 81266841

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (CID 102763206) is (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is Cc1cc(C(=O)c2cccc(Cl)c2F)sc1Cl.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The InChIKey is KMINZEVXKJMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FOS/c1-6-5-9(17-12(6)14)11(16)7-3-2-4-8(13)10(7)15/h2-5H,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
(3-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 (3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102763206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).