2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

C16H11F3OS — CID 105081086

IUPAC2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1cc(F)ccc1F)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H11F3OS/c17-11-1-3-13(19)9(5-11)7-14(20)16-8-10-6-12(18)2-4-15(10)21-16/h1-6,8,14,20H,7H2
InChIKeySCAPYANRBFMUGU-UHFFFAOYSA-N
MW308.32 g/mol
LogP4.59
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (PubChem CID 105081086) has the molecular formula C16H11F3OS and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
PubChem CID105081086
Molecular FormulaC16H11F3OS
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1cc(F)ccc1F)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H11F3OS/c17-11-1-3-13(19)9(5-11)7-14(20)16-8-10-6-12(18)2-4-15(10)21-16/h1-6,8,14,20H,7H2
InChIKeySCAPYANRBFMUGU-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-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105120769
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105088041
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105107575
2-(2,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 63083872
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64831592
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
2-(2,5-difluorophenyl)-1-naphthalen-2-ylethanol
CID 62716910

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (CID 105081086) is 2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is OC(Cc1cc(F)ccc1F)c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The InChIKey is SCAPYANRBFMUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3OS/c17-11-1-3-13(19)9(5-11)7-14(20)16-8-10-6-12(18)2-4-15(10)21-16/h1-6,8,14,20H,7H2.
What are the key properties of 2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
2-(2,5-difluorophenyl)-1-(5-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-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105081086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).