[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone

C14H15BrF3NO2 — CID 114781494

IUPAC[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2c(F)cc(F)cc2F)CC(CBr)O1
InChIInChI=1S/C14H15BrF3NO2/c1-14(2)7-19(6-9(5-15)21-14)13(20)12-10(17)3-8(16)4-11(12)18/h3-4,9H,5-7H2,1-2H3
InChIKeyVSQADIUVVZJWLZ-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.12
Rot. Bonds2

About [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone

[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone (PubChem CID 114781494) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone
PubChem CID114781494
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2c(F)cc(F)cc2F)CC(CBr)O1
InChIInChI=1S/C14H15BrF3NO2/c1-14(2)7-19(6-9(5-15)21-14)13(20)12-10(17)3-8(16)4-11(12)18/h3-4,9H,5-7H2,1-2H3
InChIKeyVSQADIUVVZJWLZ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone (CID 114781494) is [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone is CC1(C)CN(C(=O)c2c(F)cc(F)cc2F)CC(CBr)O1.
What is the InChIKey of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The InChIKey is VSQADIUVVZJWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c1-14(2)7-19(6-9(5-15)21-14)13(20)12-10(17)3-8(16)4-11(12)18/h3-4,9H,5-7H2,1-2H3.
What are the key properties of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone?
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone has a molecular weight of 366.18 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 114781494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).