(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone

C12H8F2OS — CID 79802242

IUPAC(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H8F2OS/c1-7-5-16-6-10(7)12(15)9-3-2-8(13)4-11(9)14/h2-6H,1H3
InChIKeyBCKKASNZIVZFRY-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.57
Rot. Bonds2

About (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone

(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone (PubChem CID 79802242) has the molecular formula C12H8F2OS and a molecular weight of 238.26 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone
PubChem CID79802242
Molecular FormulaC12H8F2OS
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H8F2OS/c1-7-5-16-6-10(7)12(15)9-3-2-8(13)4-11(9)14/h2-6H,1H3
InChIKeyBCKKASNZIVZFRY-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone 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

(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161425
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone
CID 43462661
(2,4-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 113229974
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane
CID 142346677
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853
2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile
CID 79802733
(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79803418
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone (CID 79802242) is (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone?
The InChIKey is BCKKASNZIVZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2OS/c1-7-5-16-6-10(7)12(15)9-3-2-8(13)4-11(9)14/h2-6H,1H3.
What are the key properties of (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone?
(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone has a molecular weight of 238.26 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79802242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).