(4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone

C14H8F4OS — CID 3021172

IUPAC(4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H8F4OS/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H
InChIKeyPMSGNDUMSOWFEK-UHFFFAOYSA-N
MW300.28 g/mol
LogP4.67
Rot. Bonds3

About (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone

(4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone (PubChem CID 3021172) has the molecular formula C14H8F4OS and a molecular weight of 300.28 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
PubChem CID3021172
Molecular FormulaC14H8F4OS
Molecular Weight300.28 g/mol
Exact Mass300.02
IUPAC Name(4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H8F4OS/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H
InChIKeyPMSGNDUMSOWFEK-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 90008142
2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-one
CID 146008520
(4-fluorophenyl)-phenylmethanone
CID 161464622
1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 67046987
1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene
CID 145093427
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
4-[4-(trifluoromethylsulfanyl)benzoyl]piperazine-2,6-dione
CID 66083933
2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 146008554
[2-oxo-2-[4-(trifluoromethylsulfanyl)phenyl]ethyl] acetate
CID 146008528
N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 61236211

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone (CID 3021172) is (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The InChIKey is PMSGNDUMSOWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4OS/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H.
What are the key properties of (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone?
(4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone has a molecular weight of 300.28 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 3021172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).