(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone

C12H5Cl2F3OS — CID 43344718

IUPAC(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H5Cl2F3OS/c13-9-5-8(11(14)19-9)10(18)6-1-3-7(4-2-6)12(15,16)17/h1-5H
InChIKeyBDRROUNCGBINIV-UHFFFAOYSA-N
MW325.14 g/mol
LogP5.30
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone

(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 43344718) has the molecular formula C12H5Cl2F3OS and a molecular weight of 325.14 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID43344718
Molecular FormulaC12H5Cl2F3OS
Molecular Weight325.14 g/mol
Exact Mass323.94
IUPAC Name(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H5Cl2F3OS/c13-9-5-8(11(14)19-9)10(18)6-1-3-7(4-2-6)12(15,16)17/h1-5H
InChIKeyBDRROUNCGBINIV-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.14
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 43344718) is (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is BDRROUNCGBINIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F3OS/c13-9-5-8(11(14)19-9)10(18)6-1-3-7(4-2-6)12(15,16)17/h1-5H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 325.14 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43344718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).