[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone

C12H13BrFNO3 — CID 107017010

IUPAC[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1F)N1CCOCC1CBr
InChIInChI=1S/C12H13BrFNO3/c13-6-8-7-18-5-4-15(8)12(17)11-9(14)2-1-3-10(11)16/h1-3,8,16H,4-7H2
InChIKeyAAWNWFJEZMXHDK-UHFFFAOYSA-N
MW318.14 g/mol
LogP1.77
Rot. Bonds2

About [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone

[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone (PubChem CID 107017010) has the molecular formula C12H13BrFNO3 and a molecular weight of 318.14 g/mol. Its IUPAC name is [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone
PubChem CID107017010
Molecular FormulaC12H13BrFNO3
Molecular Weight318.14 g/mol
Exact Mass317.01
IUPAC Name[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1F)N1CCOCC1CBr
InChIInChI=1S/C12H13BrFNO3/c13-6-8-7-18-5-4-15(8)12(17)11-9(14)2-1-3-10(11)16/h1-3,8,16H,4-7H2
InChIKeyAAWNWFJEZMXHDK-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016765
4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
CID 107013662
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine
CID 114934235
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
(2-bromo-6-fluorophenyl)-[2-(bromomethyl)azepan-1-yl]methanone
CID 114561150
1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 107014982
[3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone
CID 114823430
4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 114559720
(2-fluoro-6-hydroxyphenyl)-(1,2-oxazolidin-2-yl)methanone
CID 99585349
[3-(2-fluorophenyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 91790121

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The IUPAC name of [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone (CID 107017010) is [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The canonical SMILES for [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone is O=C(c1c(O)cccc1F)N1CCOCC1CBr.
What is the InChIKey of [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The InChIKey is AAWNWFJEZMXHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO3/c13-6-8-7-18-5-4-15(8)12(17)11-9(14)2-1-3-10(11)16/h1-3,8,16H,4-7H2.
What are the key properties of [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone has a molecular weight of 318.14 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 107017010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).