(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone

C13H10F2OS — CID 102840121

IUPAC(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccsc2C)c1F
InChIInChI=1S/C13H10F2OS/c1-7-3-4-10(14)11(12(7)15)13(16)9-5-6-17-8(9)2/h3-6H,1-2H3
InChIKeyGVENZAYKQIKGCD-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.87
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone

(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102840121) has the molecular formula C13H10F2OS and a molecular weight of 252.28 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
PubChem CID102840121
Molecular FormulaC13H10F2OS
Molecular Weight252.28 g/mol
Exact Mass252.04
IUPAC Name(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccsc2C)c1F
InChIInChI=1S/C13H10F2OS/c1-7-3-4-10(14)11(12(7)15)13(16)9-5-6-17-8(9)2/h3-6H,1-2H3
InChIKeyGVENZAYKQIKGCD-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

(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115794313
(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839725
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971268
(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 115794398
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
(2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830780
(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102831155
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone
CID 103408011
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone (CID 102840121) is (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone is Cc1ccc(F)c(C(=O)c2ccsc2C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is GVENZAYKQIKGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c1-7-3-4-10(14)11(12(7)15)13(16)9-5-6-17-8(9)2/h3-6H,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-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 (2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102840121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).