(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone

C13H11FOS — CID 102839725

IUPAC(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1ccc(C(=O)c2ccsc2C)c(F)c1
InChIInChI=1S/C13H11FOS/c1-8-3-4-11(12(14)7-8)13(15)10-5-6-16-9(10)2/h3-7H,1-2H3
InChIKeyUPUVQBWHMAEEGF-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.74
Rot. Bonds2

About (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone

(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102839725) has the molecular formula C13H11FOS and a molecular weight of 234.29 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone
PubChem CID102839725
Molecular FormulaC13H11FOS
Molecular Weight234.29 g/mol
Exact Mass234.05
IUPAC Name(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1ccc(C(=O)c2ccsc2C)c(F)c1
InChIInChI=1S/C13H11FOS/c1-8-3-4-11(12(14)7-8)13(15)10-5-6-16-9(10)2/h3-7H,1-2H3
InChIKeyUPUVQBWHMAEEGF-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-methylthiophen-3-yl)methanone
CID 101441488
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
(2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830780
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683
(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 80535211
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane
CID 142346677
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 102839751

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone (CID 102839725) is (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone is Cc1ccc(C(=O)c2ccsc2C)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is UPUVQBWHMAEEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c1-8-3-4-11(12(14)7-8)13(15)10-5-6-16-9(10)2/h3-7H,1-2H3.
What are the key properties of (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone?
(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 234.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102839725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).