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

C11H9ClF4O2 — CID 104543146

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESOC(c1cc(Cl)cc2c1OCC2)C(F)(F)C(F)F
InChIInChI=1S/C11H9ClF4O2/c12-6-3-5-1-2-18-8(5)7(4-6)9(17)11(15,16)10(13)14/h3-4,9-10,17H,1-2H2
InChIKeyYLIJSWIPXODZQT-UHFFFAOYSA-N
MW284.64 g/mol
LogP3.21
Rot. Bonds3

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

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol (PubChem CID 104543146) has the molecular formula C11H9ClF4O2 and a molecular weight of 284.64 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol
PubChem CID104543146
Molecular FormulaC11H9ClF4O2
Molecular Weight284.64 g/mol
Exact Mass284.02
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESOC(c1cc(Cl)cc2c1OCC2)C(F)(F)C(F)F
InChIInChI=1S/C11H9ClF4O2/c12-6-3-5-1-2-18-8(5)7(4-6)9(17)11(15,16)10(13)14/h3-4,9-10,17H,1-2H2
InChIKeyYLIJSWIPXODZQT-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol with MolForge

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Related Compounds

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)-3,3,3-trifluoropropan-1-ol
CID 113425155
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
(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
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol (CID 104543146) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol is OC(c1cc(Cl)cc2c1OCC2)C(F)(F)C(F)F.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol?
The InChIKey is YLIJSWIPXODZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF4O2/c12-6-3-5-1-2-18-8(5)7(4-6)9(17)11(15,16)10(13)14/h3-4,9-10,17H,1-2H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol has a molecular weight of 284.64 g/mol, XLogP of 3.21, 3 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)-2,2,3,3-tetrafluoropropan-1-ol is sourced from PubChem (CID 104543146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).