(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone

C15H12F2OS — CID 2758285

IUPAC(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
SMILESCCSc1ccc(C(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2OS/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9H,2H2,1H3
InChIKeyZGIUAJGFOFIFLK-UHFFFAOYSA-N
MW278.32 g/mol
LogP4.31
Rot. Bonds4

About (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone

(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone (PubChem CID 2758285) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
PubChem CID2758285
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
SMILESCCSc1ccc(C(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2OS/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9H,2H2,1H3
InChIKeyZGIUAJGFOFIFLK-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thioxanthone
CID 10295
Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-
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1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
CID 97654
1-(4-(Phenylthio)phenyl)ethan-1-one
CID 66287
2-Phenyl-4H-1-benzothiopyran-4-one
CID 69914
1-(4-(Methylthio)phenyl)ethan-1-one
CID 74501
2-(Phenylsulfonyl)-1-p-tolylethanone
CID 15627039
1-[4-(Phenylsulfinyl)phenyl]-1-ethanone
CID 1487167
S-(4-Methylphenyl) benzenecarbothioate
CID 25207
Benzenecarbothioic acid, S-phenyl ester
CID 97117
1-(4-Fluorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 5225625

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone (CID 2758285) is (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone is CCSc1ccc(C(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone?
The InChIKey is ZGIUAJGFOFIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9H,2H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone?
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone has a molecular weight of 278.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone is sourced from PubChem (CID 2758285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).