1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol

C12H10ClF3O3 — CID 103217135

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H10ClF3O3/c13-8-1-2-10-7(3-8)4-11(19-10)9(17)5-18-6-12(14,15)16/h1-4,9,17H,5-6H2
InChIKeySWHDLUXSPOSHNU-UHFFFAOYSA-N
MW294.66 g/mol
LogP3.70
Rot. Bonds4

About 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103217135) has the molecular formula C12H10ClF3O3 and a molecular weight of 294.66 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103217135
Molecular FormulaC12H10ClF3O3
Molecular Weight294.66 g/mol
Exact Mass294.03
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H10ClF3O3/c13-8-1-2-10-7(3-8)4-11(19-10)9(17)5-18-6-12(14,15)16/h1-4,9,17H,5-6H2
InChIKeySWHDLUXSPOSHNU-UHFFFAOYSA-N
XLogP3.70
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
[1-(5-methyl-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217797
(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 114723653
methyl 4-[2-(5-chloro-1-benzofuran-2-yl)-2-hydroxyethoxy]benzoate
CID 15337970
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 103217135) is 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol is OC(COCC(F)(F)F)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is SWHDLUXSPOSHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3O3/c13-8-1-2-10-7(3-8)4-11(19-10)9(17)5-18-6-12(14,15)16/h1-4,9,17H,5-6H2.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 294.66 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103217135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).