[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine

C12H15BrFNO2 — CID 114676919

IUPAC[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(COc2cc(Br)ccc2F)O1
InChIInChI=1S/C12H15BrFNO2/c13-8-1-4-11(14)12(5-8)16-7-10-3-2-9(6-15)17-10/h1,4-5,9-10H,2-3,6-7,15H2
InChIKeyRVLXNKWFPZEBQS-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.47
Rot. Bonds4

About [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine

[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine (PubChem CID 114676919) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine
PubChem CID114676919
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(COc2cc(Br)ccc2F)O1
InChIInChI=1S/C12H15BrFNO2/c13-8-1-4-11(14)12(5-8)16-7-10-3-2-9(6-15)17-10/h1,4-5,9-10H,2-3,6-7,15H2
InChIKeyRVLXNKWFPZEBQS-UHFFFAOYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
CID 62451404
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]oxirane
CID 87657990
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
[5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine
CID 62486311
[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 55077404
(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133522
[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62452869
1-[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 63216507
(2S,5R)-5-(aminomethyl)-N-[2-(5-bromo-2-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120789465
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
1-[(5-bromo-2-fluorophenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114672636
[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62455082

Frequently Asked Questions

What is the IUPAC name of [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine (CID 114676919) is [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine is NCC1CCC(COc2cc(Br)ccc2F)O1.
What is the InChIKey of [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine?
The InChIKey is RVLXNKWFPZEBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c13-8-1-4-11(14)12(5-8)16-7-10-3-2-9(6-15)17-10/h1,4-5,9-10H,2-3,6-7,15H2.
What are the key properties of [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine?
[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine has a molecular weight of 304.16 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 114676919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).