2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one

C16H14F2OS — CID 43224877

IUPAC2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Sc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2OS/c1-10-3-5-12(6-4-10)16(19)11(2)20-15-9-13(17)7-8-14(15)18/h3-9,11H,1-2H3
InChIKeyTZQBVGKLYFNBQG-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.64
Rot. Bonds4

About 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one

2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one (PubChem CID 43224877) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
PubChem CID43224877
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Sc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2OS/c1-10-3-5-12(6-4-10)16(19)11(2)20-15-9-13(17)7-8-14(15)18/h3-9,11H,1-2H3
InChIKeyTZQBVGKLYFNBQG-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224881
2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
CID 43218651
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43413028
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
CID 43414073
(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
CID 43218364
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64648296

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one (CID 43224877) is 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)Sc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one?
The InChIKey is TZQBVGKLYFNBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c1-10-3-5-12(6-4-10)16(19)11(2)20-15-9-13(17)7-8-14(15)18/h3-9,11H,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one?
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one has a molecular weight of 292.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 43224877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).