(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone

C16H12F2OS — CID 105124411

IUPAC(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2CSc3ccccc32)c1F
InChIInChI=1S/C16H12F2OS/c1-9-6-7-12(17)14(15(9)18)16(19)11-8-20-13-5-3-2-4-10(11)13/h2-7,11H,8H2,1H3
InChIKeyOAXYXHNBJKYVSQ-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.35
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone

(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone (PubChem CID 105124411) has the molecular formula C16H12F2OS and a molecular weight of 290.33 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
PubChem CID105124411
Molecular FormulaC16H12F2OS
Molecular Weight290.33 g/mol
Exact Mass290.06
IUPAC Name(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2CSc3ccccc32)c1F
InChIInChI=1S/C16H12F2OS/c1-9-6-7-12(17)14(15(9)18)16(19)11-8-20-13-5-3-2-4-10(11)13/h2-7,11H,8H2,1H3
InChIKeyOAXYXHNBJKYVSQ-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105100893
(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 82796890
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
CID 105079264
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 82823016
2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095519
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone
CID 105079897
2,3-dihydro-1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methanone
CID 105094308
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone (CID 105124411) is (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone is Cc1ccc(F)c(C(=O)C2CSc3ccccc32)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The InChIKey is OAXYXHNBJKYVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2OS/c1-9-6-7-12(17)14(15(9)18)16(19)11-8-20-13-5-3-2-4-10(11)13/h2-7,11H,8H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone has a molecular weight of 290.33 g/mol, XLogP of 4.35, 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)-(2,3-dihydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 105124411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).