2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane

C13H16BrFO2 — CID 107691831

IUPAC2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane
SMILESFc1cc(CBr)ccc1OCCC1CCCO1
InChIInChI=1S/C13H16BrFO2/c14-9-10-3-4-13(12(15)8-10)17-7-5-11-2-1-6-16-11/h3-4,8,11H,1-2,5-7,9H2
InChIKeyTVKPMNMWNVZPRA-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.67
Rot. Bonds5

About 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane

2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane (PubChem CID 107691831) has the molecular formula C13H16BrFO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane.

Molecular Properties

Compound Name2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane
PubChem CID107691831
Molecular FormulaC13H16BrFO2
Molecular Weight303.17 g/mol
Exact Mass302.03
IUPAC Name2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane
SMILESFc1cc(CBr)ccc1OCCC1CCCO1
InChIInChI=1S/C13H16BrFO2/c14-9-10-3-4-13(12(15)8-10)17-7-5-11-2-1-6-16-11/h3-4,8,11H,1-2,5-7,9H2
InChIKeyTVKPMNMWNVZPRA-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-(bromomethyl)-2-ethoxyphenoxy]propyl]oxolane
CID 65163140
2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
CID 65163188
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
CID 65162791
2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane
CID 65161375
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
2-[5-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65164179
N-[[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 65158637
3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114675226
2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107014133
4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene
CID 107691579

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane?
The IUPAC name of 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane (CID 107691831) is 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane.
What is the SMILES notation for 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane?
The canonical SMILES for 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane is Fc1cc(CBr)ccc1OCCC1CCCO1.
What is the InChIKey of 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane?
The InChIKey is TVKPMNMWNVZPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO2/c14-9-10-3-4-13(12(15)8-10)17-7-5-11-2-1-6-16-11/h3-4,8,11H,1-2,5-7,9H2.
What are the key properties of 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane?
2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane has a molecular weight of 303.17 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane is sourced from PubChem (CID 107691831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).