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

C11H9ClF4O3 — CID 117484315

IUPAC2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCC(C)(O)c1cc2c(cc1Cl)OC(F)(F)C(F)(F)O2
InChIInChI=1S/C11H9ClF4O3/c1-9(2,17)5-3-7-8(4-6(5)12)19-11(15,16)10(13,14)18-7/h3-4,17H,1-2H3
InChIKeyATVRCIJPCGEAIY-UHFFFAOYSA-N
MW300.64 g/mol
LogP3.52
Rot. Bonds1

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

2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol (PubChem CID 117484315) has the molecular formula C11H9ClF4O3 and a molecular weight of 300.64 g/mol. Its IUPAC name is 2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol
PubChem CID117484315
Molecular FormulaC11H9ClF4O3
Molecular Weight300.64 g/mol
Exact Mass300.02
IUPAC Name2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCC(C)(O)c1cc2c(cc1Cl)OC(F)(F)C(F)(F)O2
InChIInChI=1S/C11H9ClF4O3/c1-9(2,17)5-3-7-8(4-6(5)12)19-11(15,16)10(13,14)18-7/h3-4,17H,1-2H3
InChIKeyATVRCIJPCGEAIY-UHFFFAOYSA-N
XLogP3.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.64
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117482577
1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117484316
2-(2-amino-4,5-dichlorophenyl)propan-2-ol
CID 139377730
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)cyclobutan-1-amine
CID 117496383
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol
CID 105424287
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 59095314
2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropanoic acid
CID 105424271
2-[4-chloro-6-(ethylamino)-3-pyridinyl]propan-2-ol
CID 138648284

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol?
The IUPAC name of 2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol (CID 117484315) is 2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol.
What is the SMILES notation for 2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol?
The canonical SMILES for 2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol is CC(C)(O)c1cc2c(cc1Cl)OC(F)(F)C(F)(F)O2.
What is the InChIKey of 2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol?
The InChIKey is ATVRCIJPCGEAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF4O3/c1-9(2,17)5-3-7-8(4-6(5)12)19-11(15,16)10(13,14)18-7/h3-4,17H,1-2H3.
What are the key properties of 2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol?
2-(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 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)propan-2-ol is sourced from PubChem (CID 117484315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).