1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone

C10H8Cl2F2OS — CID 21249468

IUPAC1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone
SMILESCCSC(F)(F)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2F2OS/c1-2-16-10(13,14)9(15)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3
InChIKeyOLDJZNQELOCKHO-UHFFFAOYSA-N
MW285.14 g/mol
LogP4.52
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone

1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone (PubChem CID 21249468) has the molecular formula C10H8Cl2F2OS and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone
PubChem CID21249468
Molecular FormulaC10H8Cl2F2OS
Molecular Weight285.14 g/mol
Exact Mass283.96
IUPAC Name1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone
SMILESCCSC(F)(F)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2F2OS/c1-2-16-10(13,14)9(15)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3
InChIKeyOLDJZNQELOCKHO-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone (CID 21249468) is 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone is CCSC(F)(F)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone?
The InChIKey is OLDJZNQELOCKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2OS/c1-2-16-10(13,14)9(15)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone?
1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone has a molecular weight of 285.14 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-ethylsulfanyl-2,2-difluoroethanone is sourced from PubChem (CID 21249468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).