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

C15H10F2OS — CID 105100893

IUPAC(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1c(F)cccc1F)C1CSc2ccccc21
InChIInChI=1S/C15H10F2OS/c16-11-5-3-6-12(17)14(11)15(18)10-8-19-13-7-2-1-4-9(10)13/h1-7,10H,8H2
InChIKeyZUDSVWCTOFVBDR-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.04
Rot. Bonds2

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

(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone (PubChem CID 105100893) has the molecular formula C15H10F2OS and a molecular weight of 276.31 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
PubChem CID105100893
Molecular FormulaC15H10F2OS
Molecular Weight276.31 g/mol
Exact Mass276.04
IUPAC Name(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1c(F)cccc1F)C1CSc2ccccc21
InChIInChI=1S/C15H10F2OS/c16-11-5-3-6-12(17)14(11)15(18)10-8-19-13-7-2-1-4-9(10)13/h1-7,10H,8H2
InChIKeyZUDSVWCTOFVBDR-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105124411
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
CID 105079264
2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095519
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 75504594
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105134314
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 105085086
2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone
CID 105079897
2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 102865723

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone (CID 105100893) is (2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone is O=C(c1c(F)cccc1F)C1CSc2ccccc21.
What is the InChIKey of (2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The InChIKey is ZUDSVWCTOFVBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2OS/c16-11-5-3-6-12(17)14(11)15(18)10-8-19-13-7-2-1-4-9(10)13/h1-7,10H,8H2.
What are the key properties of (2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone has a molecular weight of 276.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 105100893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).