1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one

C12H14F2OS — CID 65134795

IUPAC1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one
SMILESCC(C)SCC(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C12H14F2OS/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeyYHDFZUYQCMHYAP-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.22
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one

1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one (PubChem CID 65134795) has the molecular formula C12H14F2OS and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one
PubChem CID65134795
Molecular FormulaC12H14F2OS
Molecular Weight244.31 g/mol
Exact Mass244.07
IUPAC Name1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one
SMILESCC(C)SCC(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C12H14F2OS/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeyYHDFZUYQCMHYAP-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 105373242
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
1-(2,5-difluorophenyl)-4,6,6-trimethylheptan-2-one
CID 114964020
propan-2-yl 3-(2,5-difluorophenyl)-2-oxopropanoate
CID 18370385
1-(2,5-difluorophenyl)-3-(methylamino)butan-2-one
CID 116564926
3-[(2,5-difluorophenyl)methylsulfanyl]butanoic acid
CID 66138963
3-(2,5-difluorophenyl)-1,1-dimethoxypropan-2-one
CID 79493020
1-(4-fluoro-2-methylphenyl)-2-propan-2-ylsulfanylethanone
CID 65134273
1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one
CID 107752635
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-(2,5-difluorophenyl)acetate
CID 6951702

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one?
The IUPAC name of 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one (CID 65134795) is 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one is CC(C)SCC(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one?
The InChIKey is YHDFZUYQCMHYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2OS/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one?
1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one has a molecular weight of 244.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one is sourced from PubChem (CID 65134795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).