(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone

C12H7BrClFOS — CID 81479635

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(Cl)c(Br)s2)c1F
InChIInChI=1S/C12H7BrClFOS/c1-6-3-2-4-7(10(6)15)11(16)9-5-8(14)12(13)17-9/h2-5H,1H3
InChIKeyLGEVAHARYUGCGQ-UHFFFAOYSA-N
MW333.61 g/mol
LogP4.84
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81479635) has the molecular formula C12H7BrClFOS and a molecular weight of 333.61 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID81479635
Molecular FormulaC12H7BrClFOS
Molecular Weight333.61 g/mol
Exact Mass331.91
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(Cl)c(Br)s2)c1F
InChIInChI=1S/C12H7BrClFOS/c1-6-3-2-4-7(10(6)15)11(16)9-5-8(14)12(13)17-9/h2-5H,1H3
InChIKeyLGEVAHARYUGCGQ-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

(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 80531762
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
(2-bromo-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762964
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80531764
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 80531678
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
CID 80531681
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-4-chlorothiophen-2-yl)methanone
CID 107874198

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone (CID 81479635) is (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone is Cc1cccc(C(=O)c2cc(Cl)c(Br)s2)c1F.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is LGEVAHARYUGCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFOS/c1-6-3-2-4-7(10(6)15)11(16)9-5-8(14)12(13)17-9/h2-5H,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)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 (5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81479635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).