(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone

C12H6ClF3OS — CID 43338883

IUPAC(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H6ClF3OS/c13-10-6-5-9(18-10)11(17)7-3-1-2-4-8(7)12(14,15)16/h1-6H
InChIKeyJBIQMGCEHRNYHX-UHFFFAOYSA-N
MW290.69 g/mol
LogP4.65
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone

(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 43338883) has the molecular formula C12H6ClF3OS and a molecular weight of 290.69 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID43338883
Molecular FormulaC12H6ClF3OS
Molecular Weight290.69 g/mol
Exact Mass289.98
IUPAC Name(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H6ClF3OS/c13-10-6-5-9(18-10)11(17)7-3-1-2-4-8(7)12(14,15)16/h1-6H
InChIKeyJBIQMGCEHRNYHX-UHFFFAOYSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 116597564
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344981
(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105122606
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 12630812
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
5-chlorothiophene-2-carbonyl fluoride
CID 119084238

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 43338883) is (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(Cl)s1)c1ccccc1C(F)(F)F.
What is the InChIKey of (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is JBIQMGCEHRNYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3OS/c13-10-6-5-9(18-10)11(17)7-3-1-2-4-8(7)12(14,15)16/h1-6H.
What are the key properties of (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 290.69 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43338883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).