2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol

C16H11F3OS — CID 81105961

IUPAC2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H11F3OS/c17-11-3-1-9(13(19)7-11)5-14(20)16-6-10-2-4-12(18)8-15(10)21-16/h1-4,6-8,14,20H,5H2
InChIKeyVXVMRJFPMCFPPD-UHFFFAOYSA-N
MW308.32 g/mol
LogP4.59
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol

2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol (PubChem CID 81105961) has the molecular formula C16H11F3OS and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
PubChem CID81105961
Molecular FormulaC16H11F3OS
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H11F3OS/c17-11-3-1-9(13(19)7-11)5-14(20)16-6-10-2-4-12(18)8-15(10)21-16/h1-4,6-8,14,20H,5H2
InChIKeyVXVMRJFPMCFPPD-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 107312501
2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105081086
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
2-(4-bromo-2-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115844575
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol
CID 81104324
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812042
2-(2,4-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893810
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780125
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780349

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol (CID 81105961) is 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol is OC(Cc1ccc(F)cc1F)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
The InChIKey is VXVMRJFPMCFPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3OS/c17-11-3-1-9(13(19)7-11)5-14(20)16-6-10-2-4-12(18)8-15(10)21-16/h1-4,6-8,14,20H,5H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol has a molecular weight of 308.32 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 81105961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).