(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone

C11H4Cl2F2OS — CID 43344745

IUPAC(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4Cl2F2OS/c12-9-4-8(11(13)17-9)10(16)5-1-6(14)3-7(15)2-5/h1-4H
InChIKeyCAFOHCBALYDQCO-UHFFFAOYSA-N
MW293.12 g/mol
LogP4.56
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone

(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone (PubChem CID 43344745) has the molecular formula C11H4Cl2F2OS and a molecular weight of 293.12 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone
PubChem CID43344745
Molecular FormulaC11H4Cl2F2OS
Molecular Weight293.12 g/mol
Exact Mass291.93
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4Cl2F2OS/c12-9-4-8(11(13)17-9)10(16)5-1-6(14)3-7(15)2-5/h1-4H
InChIKeyCAFOHCBALYDQCO-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 54.56
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)-(3,5-difluorophenyl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone (CID 43344745) is (2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone?
The InChIKey is CAFOHCBALYDQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F2OS/c12-9-4-8(11(13)17-9)10(16)5-1-6(14)3-7(15)2-5/h1-4H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone?
(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone has a molecular weight of 293.12 g/mol, XLogP of 4.56, 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)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 43344745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).