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

C12H7BrClFOS — CID 102762871

IUPAC(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2ccc(F)cc2Br)sc1Cl
InChIInChI=1S/C12H7BrClFOS/c1-6-4-10(17-12(6)14)11(16)8-3-2-7(15)5-9(8)13/h2-5H,1H3
InChIKeyLYHTXZUHPJVLKY-UHFFFAOYSA-N
MW333.61 g/mol
LogP4.84
Rot. Bonds2

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

(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (PubChem CID 102762871) has the molecular formula C12H7BrClFOS and a molecular weight of 333.61 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
PubChem CID102762871
Molecular FormulaC12H7BrClFOS
Molecular Weight333.61 g/mol
Exact Mass331.91
IUPAC Name(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2ccc(F)cc2Br)sc1Cl
InChIInChI=1S/C12H7BrClFOS/c1-6-4-10(17-12(6)14)11(16)8-3-2-7(15)5-9(8)13/h2-5H,1H3
InChIKeyLYHTXZUHPJVLKY-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762924
(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
(2-bromo-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337277
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102763071
(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79982159

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (CID 102762871) is (2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is Cc1cc(C(=O)c2ccc(F)cc2Br)sc1Cl.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The InChIKey is LYHTXZUHPJVLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFOS/c1-6-4-10(17-12(6)14)11(16)8-3-2-7(15)5-9(8)13/h2-5H,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone has a molecular weight of 333.61 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102762871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).