(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone

C12H8BrFO2S — CID 81127475

IUPAC(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C12H8BrFO2S/c1-16-8-5-11(17-6-8)12(15)7-2-3-10(14)9(13)4-7/h2-6H,1H3
InChIKeyNTZWMQXTZUGEJQ-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.89
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone

(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone (PubChem CID 81127475) has the molecular formula C12H8BrFO2S and a molecular weight of 315.16 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
PubChem CID81127475
Molecular FormulaC12H8BrFO2S
Molecular Weight315.16 g/mol
Exact Mass313.94
IUPAC Name(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C12H8BrFO2S/c1-16-8-5-11(17-6-8)12(15)7-2-3-10(14)9(13)4-7/h2-6H,1H3
InChIKeyNTZWMQXTZUGEJQ-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729
(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone
CID 107949935
(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115787659
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone
CID 115790453
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 62915012
(3-bromo-4-fluorophenyl)-(3-bromo-5-methylthiophen-2-yl)methanone
CID 107949916
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
CID 103706313

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone (CID 81127475) is (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone?
The InChIKey is NTZWMQXTZUGEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO2S/c1-16-8-5-11(17-6-8)12(15)7-2-3-10(14)9(13)4-7/h2-6H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone?
(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone has a molecular weight of 315.16 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).