[4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone

C11H9BrFNO2 — CID 150381308

IUPAC[4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone
SMILESO=C=C1COCCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C11H9BrFNO2/c12-10-2-1-8(5-11(10)13)14-3-4-16-7-9(14)6-15/h1-2,5H,3-4,7H2
InChIKeyGZUKCCZZRJKQBC-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.14
Rot. Bonds1

About [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone

[4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone (PubChem CID 150381308) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone.

Molecular Properties

Compound Name[4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone
PubChem CID150381308
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name[4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone
SMILESO=C=C1COCCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C11H9BrFNO2/c12-10-2-1-8(5-11(10)13)14-3-4-16-7-9(14)6-15/h1-2,5H,3-4,7H2
InChIKeyGZUKCCZZRJKQBC-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-morpholinoacetamide
CID 687266
4-(4-Bromophenyl)morpholine
CID 11622851
4-(3-Bromophenyl)morpholine
CID 4961268
4-(4-Bromophenyl)morpholin-3-one
CID 17982707
4-(2-Bromophenyl)morpholine
CID 5325729
4-(3-Bromophenyl)morpholine hydrochloride
CID 46739823
4-(4-Bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 139264119
2-[(4-bromo-N-methylanilino)methyl]-2H-furan-5-one
CID 11616145
N-(4-bromo-2-fluorophenyl)-2-(4-methylmorpholin-4-ium-4-yl)acetamide
CID 2480161
N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 5042658
N-(4-bromo-2-fluorophenyl)morpholine-4-carboxamide
CID 3411500
4-(4-Bromo-2-fluorophenyl)morpholine
CID 11379929

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone?
The IUPAC name of [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone (CID 150381308) is [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone.
What is the SMILES notation for [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone?
The canonical SMILES for [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone is O=C=C1COCCN1c1ccc(Br)c(F)c1.
What is the InChIKey of [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone?
The InChIKey is GZUKCCZZRJKQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c12-10-2-1-8(5-11(10)13)14-3-4-16-7-9(14)6-15/h1-2,5H,3-4,7H2.
What are the key properties of [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone?
[4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone has a molecular weight of 286.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-fluorophenyl)morpholin-3-ylidene]methanone is sourced from PubChem (CID 150381308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).