2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol

C14H10ClFOS2 — CID 107894377

IUPAC2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1cc2sccc2s1
InChIInChI=1S/C14H10ClFOS2/c15-9-2-1-8(5-10(9)16)6-11(17)13-7-14-12(19-13)3-4-18-14/h1-5,7,11,17H,6H2
InChIKeyZMGNXBQKQHMPSD-UHFFFAOYSA-N
MW312.82 g/mol
LogP5.03
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol

2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol (PubChem CID 107894377) has the molecular formula C14H10ClFOS2 and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol
PubChem CID107894377
Molecular FormulaC14H10ClFOS2
Molecular Weight312.82 g/mol
Exact Mass311.98
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1cc2sccc2s1
InChIInChI=1S/C14H10ClFOS2/c15-9-2-1-8(5-10(9)16)6-11(17)13-7-14-12(19-13)3-4-18-14/h1-5,7,11,17H,6H2
InChIKeyZMGNXBQKQHMPSD-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.82
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 107883554
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 115826177
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105088041
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
5,5,5-trifluoro-1-thieno[3,2-b]thiophen-5-ylpentan-1-ol
CID 115828390
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 81044859
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
CID 115830002
5-[bromo-(2-chloro-4,5-difluorophenyl)methyl]thieno[3,2-b]thiophene
CID 107477680
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol (CID 107894377) is 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol is OC(Cc1ccc(Cl)c(F)c1)c1cc2sccc2s1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol?
The InChIKey is ZMGNXBQKQHMPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFOS2/c15-9-2-1-8(5-10(9)16)6-11(17)13-7-14-12(19-13)3-4-18-14/h1-5,7,11,17H,6H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol?
2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol has a molecular weight of 312.82 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol is sourced from PubChem (CID 107894377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).