[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone

C14H15BrF3NO2 — CID 102937724

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC1CN(C(=O)c2ccccc2C(F)(F)F)CC(CBr)O1
InChIInChI=1S/C14H15BrF3NO2/c1-9-7-19(8-10(6-15)21-9)13(20)11-4-2-3-5-12(11)14(16,17)18/h2-5,9-10H,6-8H2,1H3
InChIKeyUVKBSQQQBGRDGR-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.33
Rot. Bonds2

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 102937724) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID102937724
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC1CN(C(=O)c2ccccc2C(F)(F)F)CC(CBr)O1
InChIInChI=1S/C14H15BrF3NO2/c1-9-7-19(8-10(6-15)21-9)13(20)11-4-2-3-5-12(11)14(16,17)18/h2-5,9-10H,6-8H2,1H3
InChIKeyUVKBSQQQBGRDGR-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.33
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-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 102937779
2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine
CID 102937208
[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 124625651
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(5-bromo-2-methylphenyl)methanone
CID 102937933
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,5-dihydroxyphenyl)methanone
CID 107726249
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-chloro-4-methylphenyl)methanone
CID 106864094
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 102937638

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 102937724) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone is CC1CN(C(=O)c2ccccc2C(F)(F)F)CC(CBr)O1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is UVKBSQQQBGRDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c1-9-7-19(8-10(6-15)21-9)13(20)11-4-2-3-5-12(11)14(16,17)18/h2-5,9-10H,6-8H2,1H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 366.18 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102937724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).