2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane

C12H14BrFO2 — CID 103134451

IUPAC2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
SMILESCC1CCC(COc2cc(F)ccc2Br)O1
InChIInChI=1S/C12H14BrFO2/c1-8-2-4-10(16-8)7-15-12-6-9(14)3-5-11(12)13/h3,5-6,8,10H,2,4,7H2,1H3
InChIKeyBFAZRQAECAANSP-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.53
Rot. Bonds3

About 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane

2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane (PubChem CID 103134451) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
PubChem CID103134451
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
SMILESCC1CCC(COc2cc(F)ccc2Br)O1
InChIInChI=1S/C12H14BrFO2/c1-8-2-4-10(16-8)7-15-12-6-9(14)3-5-11(12)13/h3,5-6,8,10H,2,4,7H2,1H3
InChIKeyBFAZRQAECAANSP-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135573
potassium trifluoro-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135595
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 103136462
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 103136463
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
3-bromo-4-[(5-methyloxolan-2-yl)methoxy]benzaldehyde
CID 103134506
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
2-bromo-5-[(5-methyloxolan-2-yl)methoxy]benzaldehyde
CID 103134514
5-bromo-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 103134531

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane?
The IUPAC name of 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane (CID 103134451) is 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane?
The canonical SMILES for 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane is CC1CCC(COc2cc(F)ccc2Br)O1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane?
The InChIKey is BFAZRQAECAANSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c1-8-2-4-10(16-8)7-15-12-6-9(14)3-5-11(12)13/h3,5-6,8,10H,2,4,7H2,1H3.
What are the key properties of 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane?
2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane has a molecular weight of 289.14 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane is sourced from PubChem (CID 103134451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).