3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane

C14H17BrF2O2 — CID 107098657

IUPAC3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane
SMILESCC1(C)CC(Oc2cc(Br)cc(F)c2F)C(C)(C)O1
InChIInChI=1S/C14H17BrF2O2/c1-13(2)7-11(14(3,4)19-13)18-10-6-8(15)5-9(16)12(10)17/h5-6,11H,7H2,1-4H3
InChIKeyXVUCTBUVJBGJLC-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.45
Rot. Bonds2

About 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane

3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane (PubChem CID 107098657) has the molecular formula C14H17BrF2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane.

Molecular Properties

Compound Name3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane
PubChem CID107098657
Molecular FormulaC14H17BrF2O2
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane
SMILESCC1(C)CC(Oc2cc(Br)cc(F)c2F)C(C)(C)O1
InChIInChI=1S/C14H17BrF2O2/c1-13(2)7-11(14(3,4)19-13)18-10-6-8(15)5-9(16)12(10)17/h5-6,11H,7H2,1-4H3
InChIKeyXVUCTBUVJBGJLC-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-Bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15906200
1-Bromo-3-(2-methoxyethoxy)benzene
CID 18379608
3-(3-Bromophenoxy)oxetane
CID 83487082
2-[3-Bromo-5-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122205289
1-Bromo-3-cyclopropoxy-2-fluorobenzene
CID 168440238
2-Bromo-4-(2,2-diethoxyethoxy)-1-fluorobenzene
CID 83234300
1-Bromo-3-ethoxy-2-fluorobenzene
CID 125116253
1-Bromo-2-(1,1-difluoro-2-methoxyethoxy)benzene
CID 170911119
1-Bromo-3-(1,1-difluoro-2-methoxyethoxy)benzene
CID 170916822
2-[(3-Bromophenoxy)methyl]oxirane
CID 3865342
Benzene, 5-bromo-1,2-difluoro-3-[[(1R)-1-methylheptyl]oxy]-
CID 11493491
2-[(2-Bromo-4-fluorophenoxy)methyl]oxirane
CID 14576039

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane?
The IUPAC name of 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane (CID 107098657) is 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane.
What is the SMILES notation for 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane?
The canonical SMILES for 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane is CC1(C)CC(Oc2cc(Br)cc(F)c2F)C(C)(C)O1.
What is the InChIKey of 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane?
The InChIKey is XVUCTBUVJBGJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2O2/c1-13(2)7-11(14(3,4)19-13)18-10-6-8(15)5-9(16)12(10)17/h5-6,11H,7H2,1-4H3.
What are the key properties of 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane?
3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane has a molecular weight of 335.19 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane is sourced from PubChem (CID 107098657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).