(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C13H15BrFNO2 — CID 17446861

IUPAC(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)cc2F)CC(C)O1
InChIInChI=1S/C13H15BrFNO2/c1-8-6-16(7-9(2)18-8)13(17)11-4-3-10(14)5-12(11)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIBPYXJARWXWRCT-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.84
Rot. Bonds1

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

(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 17446861) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID17446861
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)cc2F)CC(C)O1
InChIInChI=1S/C13H15BrFNO2/c1-8-6-16(7-9(2)18-8)13(17)11-4-3-10(14)5-12(11)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIBPYXJARWXWRCT-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluorophenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026053
(4-bromo-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 55215467
(4-amino-3-methylpiperidin-1-yl)-(4-bromo-2-fluorophenyl)methanone
CID 79879444
(4-bromo-3-fluorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932972
(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115646200
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918089
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 103883074
(4-bromo-2,6-difluorophenyl)-[2-(bromomethyl)-6-methylmorpholin-4-yl]methanone
CID 102937775
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(5-bromo-2-methylphenyl)methanone
CID 102937933
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
(3S)-1-(4-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 94917320
[1-(4-bromo-2-methylbenzoyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 55850164

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 17446861) is (4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(Br)cc2F)CC(C)O1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is IBPYXJARWXWRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-8-6-16(7-9(2)18-8)13(17)11-4-3-10(14)5-12(11)15/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 316.17 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 17446861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).