1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol

C11H10ClF3O2 — CID 113425155

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H10ClF3O2/c12-7-3-6-1-2-17-10(6)8(4-7)9(16)5-11(13,14)15/h3-4,9,16H,1-2,5H2
InChIKeyWEJANQICTJRLBA-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.26
Rot. Bonds2

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol (PubChem CID 113425155) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol
PubChem CID113425155
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H10ClF3O2/c12-7-3-6-1-2-17-10(6)8(4-7)9(16)5-11(13,14)15/h3-4,9,16H,1-2,5H2
InChIKeyWEJANQICTJRLBA-UHFFFAOYSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol
CID 104543146
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
CID 104632781
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanol
CID 104543207
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanol
CID 104543084
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol
CID 104543138
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-difluorophenyl)methanol
CID 104543072
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
CID 106688939
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 104543117

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol (CID 113425155) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is WEJANQICTJRLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c12-7-3-6-1-2-17-10(6)8(4-7)9(16)5-11(13,14)15/h3-4,9,16H,1-2,5H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 266.65 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 113425155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).