(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone

C14H12F2O2S — CID 65237489

IUPAC(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(C)c(C)s2)c(F)c1
InChIInChI=1S/C14H12F2O2S/c1-7-4-12(19-8(7)2)14(17)13-10(15)5-9(18-3)6-11(13)16/h4-6H,1-3H3
InChIKeyNFJVLFZQZCAOPB-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.88
Rot. Bonds3

About (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone

(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 65237489) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
PubChem CID65237489
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(C)c(C)s2)c(F)c1
InChIInChI=1S/C14H12F2O2S/c1-7-4-12(19-8(7)2)14(17)13-10(15)5-9(18-3)6-11(13)16/h4-6H,1-3H3
InChIKeyNFJVLFZQZCAOPB-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 79982235
(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115794313
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 114971223
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376
(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 79732770
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 114971655
(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone (CID 65237489) is (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone is COc1cc(F)c(C(=O)c2cc(C)c(C)s2)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is NFJVLFZQZCAOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c1-7-4-12(19-8(7)2)14(17)13-10(15)5-9(18-3)6-11(13)16/h4-6H,1-3H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 282.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 65237489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).