2-[(3-bromo-5-fluorophenoxy)methyl]oxolane

C11H12BrFO2 — CID 81331452

IUPAC2-[(3-bromo-5-fluorophenoxy)methyl]oxolane
SMILESFc1cc(Br)cc(OCC2CCCO2)c1
InChIInChI=1S/C11H12BrFO2/c12-8-4-9(13)6-11(5-8)15-7-10-2-1-3-14-10/h4-6,10H,1-3,7H2
InChIKeyPZAABJUGNCONAC-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.15
Rot. Bonds3

About 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane

2-[(3-bromo-5-fluorophenoxy)methyl]oxolane (PubChem CID 81331452) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenoxy)methyl]oxolane
PubChem CID81331452
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name2-[(3-bromo-5-fluorophenoxy)methyl]oxolane
SMILESFc1cc(Br)cc(OCC2CCCO2)c1
InChIInChI=1S/C11H12BrFO2/c12-8-4-9(13)6-11(5-8)15-7-10-2-1-3-14-10/h4-6,10H,1-3,7H2
InChIKeyPZAABJUGNCONAC-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55907648
2-[(3,5-dibromophenoxy)methyl]oxirane
CID 101286971
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752
2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81332587
3-bromo-5-[2-(oxolan-2-yl)ethoxy]aniline
CID 103588138
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
5-bromo-4-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 66111356
4-bromo-5-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 116736428
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
2-[2-(3-bromophenoxy)ethoxymethyl]oxolane
CID 54970515
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
5-bromo-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 61228294

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane?
The IUPAC name of 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane (CID 81331452) is 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane?
The canonical SMILES for 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane is Fc1cc(Br)cc(OCC2CCCO2)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane?
The InChIKey is PZAABJUGNCONAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c12-8-4-9(13)6-11(5-8)15-7-10-2-1-3-14-10/h4-6,10H,1-3,7H2.
What are the key properties of 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane?
2-[(3-bromo-5-fluorophenoxy)methyl]oxolane has a molecular weight of 275.12 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenoxy)methyl]oxolane is sourced from PubChem (CID 81331452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).