(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C15H19BrFNO2 — CID 102743982

IUPAC(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)ccc2F)CC(C)(C)O1
InChIInChI=1S/C15H19BrFNO2/c1-14(2)8-18(9-15(3,4)20-14)13(19)11-7-10(16)5-6-12(11)17/h5-7H,8-9H2,1-4H3
InChIKeyTXFCWINTDYAAMV-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.62
Rot. Bonds1

About (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102743982) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102743982
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)ccc2F)CC(C)(C)O1
InChIInChI=1S/C15H19BrFNO2/c1-14(2)8-18(9-15(3,4)20-14)13(19)11-7-10(16)5-6-12(11)17/h5-7H,8-9H2,1-4H3
InChIKeyTXFCWINTDYAAMV-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102744843
(5-bromo-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781392
(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276511
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone
CID 157010623
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317604
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
1-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]butan-1-one
CID 110800096
1-(5-bromo-2-fluorobenzoyl)-5,5-dimethylpyrrolidin-3-one
CID 115275526
(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 107723950
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102743982) is (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(Br)ccc2F)CC(C)(C)O1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is TXFCWINTDYAAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-14(2)8-18(9-15(3,4)20-14)13(19)11-7-10(16)5-6-12(11)17/h5-7H,8-9H2,1-4H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 344.22 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102743982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).