1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one

C22H18F2OS — CID 19813756

IUPAC1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)c1ccc(-c2ccccc2F)cc1-c1ccccc1F
InChIInChI=1S/C22H18F2OS/c1-14(26-2)22(25)18-12-11-15(16-7-3-5-9-20(16)23)13-19(18)17-8-4-6-10-21(17)24/h3-14H,1-2H3
InChIKeyWMORGXSPDWDFOP-UHFFFAOYSA-N
MW368.45 g/mol
LogP6.23
Rot. Bonds5

About 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one

1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one (PubChem CID 19813756) has the molecular formula C22H18F2OS and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one
PubChem CID19813756
Molecular FormulaC22H18F2OS
Molecular Weight368.45 g/mol
Exact Mass368.10
IUPAC Name1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)c1ccc(-c2ccccc2F)cc1-c1ccccc1F
InChIInChI=1S/C22H18F2OS/c1-14(26-2)22(25)18-12-11-15(16-7-3-5-9-20(16)23)13-19(18)17-8-4-6-10-21(17)24/h3-14H,1-2H3
InChIKeyWMORGXSPDWDFOP-UHFFFAOYSA-N
XLogP6.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one?
The IUPAC name of 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one (CID 19813756) is 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one is CSC(C)C(=O)c1ccc(-c2ccccc2F)cc1-c1ccccc1F.
What is the InChIKey of 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one?
The InChIKey is WMORGXSPDWDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2OS/c1-14(26-2)22(25)18-12-11-15(16-7-3-5-9-20(16)23)13-19(18)17-8-4-6-10-21(17)24/h3-14H,1-2H3.
What are the key properties of 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one?
1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one has a molecular weight of 368.45 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(2-fluorophenyl)phenyl]-2-methylsulfanylpropan-1-one is sourced from PubChem (CID 19813756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).