(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone

C13H10F2OS — CID 43161425

IUPAC(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(F)cc2F)c(C)s1
InChIInChI=1S/C13H10F2OS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6H,1-2H3
InChIKeyCMYVYKTXMFWUJZ-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.87
Rot. Bonds2

About (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone

(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 43161425) has the molecular formula C13H10F2OS and a molecular weight of 252.28 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID43161425
Molecular FormulaC13H10F2OS
Molecular Weight252.28 g/mol
Exact Mass252.04
IUPAC Name(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(F)cc2F)c(C)s1
InChIInChI=1S/C13H10F2OS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6H,1-2H3
InChIKeyCMYVYKTXMFWUJZ-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161417
(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101484
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79802242
(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
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone (CID 43161425) is (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc(F)cc2F)c(C)s1.
What is the InChIKey of (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is CMYVYKTXMFWUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6H,1-2H3.
What are the key properties of (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 252.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 43161425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).