(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C11H4BrF4NOS — CID 106785011

IUPAC(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)c1ccc(F)cc1Br
InChIInChI=1S/C11H4BrF4NOS/c12-7-3-5(13)1-2-6(7)9(18)8-4-17-10(19-8)11(14,15)16/h1-4H
InChIKeyJBCFJERPODTCLO-UHFFFAOYSA-N
MW354.12 g/mol
LogP4.29
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106785011) has the molecular formula C11H4BrF4NOS and a molecular weight of 354.12 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106785011
Molecular FormulaC11H4BrF4NOS
Molecular Weight354.12 g/mol
Exact Mass352.91
IUPAC Name(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)c1ccc(F)cc1Br
InChIInChI=1S/C11H4BrF4NOS/c12-7-3-5(13)1-2-6(7)9(18)8-4-17-10(19-8)11(14,15)16/h1-4H
InChIKeyJBCFJERPODTCLO-UHFFFAOYSA-N
XLogP4.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784897
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782498
(3-fluoro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782609
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255
(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 114030007
2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782479
(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762871
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107502611
naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782470
2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid
CID 114026517
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106785011) is (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is JBCFJERPODTCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrF4NOS/c12-7-3-5(13)1-2-6(7)9(18)8-4-17-10(19-8)11(14,15)16/h1-4H.
What are the key properties of (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 354.12 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106785011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).