(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone

C12H6BrF3OS — CID 103301505

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
SMILESCc1cc(C(=O)c2cc(F)c(F)cc2F)sc1Br
InChIInChI=1S/C12H6BrF3OS/c1-5-2-10(18-12(5)13)11(17)6-3-8(15)9(16)4-7(6)14/h2-4H,1H3
InChIKeyGPKVWOABBZYLKF-UHFFFAOYSA-N
MW335.14 g/mol
LogP4.47
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone

(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 103301505) has the molecular formula C12H6BrF3OS and a molecular weight of 335.14 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
PubChem CID103301505
Molecular FormulaC12H6BrF3OS
Molecular Weight335.14 g/mol
Exact Mass333.93
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
SMILESCc1cc(C(=O)c2cc(F)c(F)cc2F)sc1Br
InChIInChI=1S/C12H6BrF3OS/c1-5-2-10(18-12(5)13)11(17)6-3-8(15)9(16)4-7(6)14/h2-4H,1H3
InChIKeyGPKVWOABBZYLKF-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79990962
(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 79732770
(5-bromo-4-methylthiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79997059
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102826513
(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997217
(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301284
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 79982235
(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 80534855
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875843
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
(5-bromo-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79997568

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone (CID 103301505) is (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone is Cc1cc(C(=O)c2cc(F)c(F)cc2F)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is GPKVWOABBZYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3OS/c1-5-2-10(18-12(5)13)11(17)6-3-8(15)9(16)4-7(6)14/h2-4H,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 335.14 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103301505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).