(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone

C14H12F2OS — CID 115794313

IUPAC(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2c(F)ccc(C)c2F)sc1C
InChIInChI=1S/C14H12F2OS/c1-7-4-5-10(15)12(13(7)16)14(17)11-6-8(2)9(3)18-11/h4-6H,1-3H3
InChIKeyKQDJQGAYTLJVGC-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.18
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone

(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 115794313) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
PubChem CID115794313
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2c(F)ccc(C)c2F)sc1C
InChIInChI=1S/C14H12F2OS/c1-7-4-5-10(15)12(13(7)16)14(17)11-6-8(2)9(3)18-11/h4-6H,1-3H3
InChIKeyKQDJQGAYTLJVGC-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 114971655
(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237489
(4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115791484
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 79732770
(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840121
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682
(2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone
CID 114269282

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone (CID 115794313) is (2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone is Cc1cc(C(=O)c2c(F)ccc(C)c2F)sc1C.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is KQDJQGAYTLJVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS/c1-7-4-5-10(15)12(13(7)16)14(17)11-6-8(2)9(3)18-11/h4-6H,1-3H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 266.31 g/mol, XLogP of 4.18, 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)-(4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 115794313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).