2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane

C14H18BrFO2 — CID 67227652

IUPAC2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane
SMILESCC(C)(OC1CCCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFO2/c1-14(2,18-13-5-3-4-8-17-13)11-7-6-10(15)9-12(11)16/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyUPZZNKCKVSEBPS-UHFFFAOYSA-N
MW317.20 g/mol
LogP4.37
Rot. Bonds3

About 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane

2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane (PubChem CID 67227652) has the molecular formula C14H18BrFO2 and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane.

Molecular Properties

Compound Name2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane
PubChem CID67227652
Molecular FormulaC14H18BrFO2
Molecular Weight317.20 g/mol
Exact Mass316.05
IUPAC Name2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane
SMILESCC(C)(OC1CCCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFO2/c1-14(2,18-13-5-3-4-8-17-13)11-7-6-10(15)9-12(11)16/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyUPZZNKCKVSEBPS-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane?
The IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane (CID 67227652) is 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane.
What is the SMILES notation for 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane?
The canonical SMILES for 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane is CC(C)(OC1CCCCO1)c1ccc(Br)cc1F.
What is the InChIKey of 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane?
The InChIKey is UPZZNKCKVSEBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO2/c1-14(2,18-13-5-3-4-8-17-13)11-7-6-10(15)9-12(11)16/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane?
2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane has a molecular weight of 317.20 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-fluorophenyl)propan-2-yloxy]oxane is sourced from PubChem (CID 67227652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).