phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone

C14H9F3OS — CID 150356698

IUPACphenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C14H9F3OS/c15-14(16,17)19-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H
InChIKeyGUWDFHRNFCUKMZ-UHFFFAOYSA-N
MW282.29 g/mol
LogP4.53
Rot. Bonds3

About phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone

phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone (PubChem CID 150356698) has the molecular formula C14H9F3OS and a molecular weight of 282.29 g/mol. Its IUPAC name is phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone
PubChem CID150356698
Molecular FormulaC14H9F3OS
Molecular Weight282.29 g/mol
Exact Mass282.03
IUPAC Namephenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C14H9F3OS/c15-14(16,17)19-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H
InChIKeyGUWDFHRNFCUKMZ-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thioxanthone
CID 10295
Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-
CID 174341
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
S-(4-Methylphenyl) benzenecarbothioate
CID 25207
Benzenecarbothioic acid, S-phenyl ester
CID 97117
1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone
CID 1483401
2-Methyl-4H-1-benzothiopyran-4-one
CID 330346
2-(Trifluoromethyl)-9H-thioxanthen-9-one
CID 74324
1-Phenyl-2-((phenylmethyl)thio)ethan-1-one
CID 75479
1-Phenyl-3-(phenylthio)-2-propen-1-one
CID 870755

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone?
The IUPAC name of phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone (CID 150356698) is phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone.
What is the SMILES notation for phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone?
The canonical SMILES for phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone is O=C(c1ccccc1)c1cccc(SC(F)(F)F)c1.
What is the InChIKey of phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone?
The InChIKey is GUWDFHRNFCUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3OS/c15-14(16,17)19-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H.
What are the key properties of phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone?
phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone has a molecular weight of 282.29 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(trifluoromethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 150356698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).