(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone

C13H10BrFOS — CID 43161417

IUPAC(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(F)ccc2Br)c(C)s1
InChIInChI=1S/C13H10BrFOS/c1-7-5-10(8(2)17-7)13(16)11-6-9(15)3-4-12(11)14/h3-6H,1-2H3
InChIKeyQTHKRUWTJKJILY-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.50
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone

(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 43161417) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID43161417
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(F)ccc2Br)c(C)s1
InChIInChI=1S/C13H10BrFOS/c1-7-5-10(8(2)17-7)13(16)11-6-9(15)3-4-12(11)14/h3-6H,1-2H3
InChIKeyQTHKRUWTJKJILY-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161425
(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927883
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101484
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62865668
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43805092
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 65455690
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161396

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone (CID 43161417) is (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone is Cc1cc(C(=O)c2cc(F)ccc2Br)c(C)s1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is QTHKRUWTJKJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c1-7-5-10(8(2)17-7)13(16)11-6-9(15)3-4-12(11)14/h3-6H,1-2H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 313.19 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 43161417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).