1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol

C11H9ClF4O3 — CID 117484316

IUPAC1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCC(O)Cc1cc2c(cc1Cl)OC(F)(F)C(F)(F)O2
InChIInChI=1S/C11H9ClF4O3/c1-5(17)2-6-3-8-9(4-7(6)12)19-11(15,16)10(13,14)18-8/h3-5,17H,2H2,1H3
InChIKeyOPLJRUZHJAZVBL-UHFFFAOYSA-N
MW300.64 g/mol
LogP3.22
Rot. Bonds2

About 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol

1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol (PubChem CID 117484316) has the molecular formula C11H9ClF4O3 and a molecular weight of 300.64 g/mol. Its IUPAC name is 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol
PubChem CID117484316
Molecular FormulaC11H9ClF4O3
Molecular Weight300.64 g/mol
Exact Mass300.02
IUPAC Name1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCC(O)Cc1cc2c(cc1Cl)OC(F)(F)C(F)(F)O2
InChIInChI=1S/C11H9ClF4O3/c1-5(17)2-6-3-8-9(4-7(6)12)19-11(15,16)10(13,14)18-8/h3-5,17H,2H2,1H3
InChIKeyOPLJRUZHJAZVBL-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.64
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol?
The IUPAC name of 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol (CID 117484316) is 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol.
What is the SMILES notation for 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol?
The canonical SMILES for 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol is CC(O)Cc1cc2c(cc1Cl)OC(F)(F)C(F)(F)O2.
What is the InChIKey of 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol?
The InChIKey is OPLJRUZHJAZVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF4O3/c1-5(17)2-6-3-8-9(4-7(6)12)19-11(15,16)10(13,14)18-8/h3-5,17H,2H2,1H3.
What are the key properties of 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol?
1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol has a molecular weight of 300.64 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol is sourced from PubChem (CID 117484316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).