(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone

C11H11BrFNO2 — CID 46738891

IUPAC(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(F)c(Br)c1)N1CCOCC1
InChIInChI=1S/C11H11BrFNO2/c12-9-7-8(1-2-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyLQLSTTTUFUYAMF-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.06
Rot. Bonds1

About (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone

(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone (PubChem CID 46738891) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
PubChem CID46738891
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(F)c(Br)c1)N1CCOCC1
InChIInChI=1S/C11H11BrFNO2/c12-9-7-8(1-2-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyLQLSTTTUFUYAMF-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 103706428
4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
CID 103707230
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
1-[4-(3-bromo-4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 103706987
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone (CID 46738891) is (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone is O=C(c1ccc(F)c(Br)c1)N1CCOCC1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone?
The InChIKey is LQLSTTTUFUYAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-9-7-8(1-2-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2.
What are the key properties of (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone?
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone has a molecular weight of 288.12 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 46738891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).