(3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone

C11H11BrFNO2 — CID 106547689

IUPAC(3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone
SMILESO=C(c1cccc(Br)c1F)N1CCCCO1
InChIInChI=1S/C11H11BrFNO2/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-16-14/h3-5H,1-2,6-7H2
InChIKeyFOSCGNSRPZBSOW-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.76
Rot. Bonds1

About (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone

(3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone (PubChem CID 106547689) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone
PubChem CID106547689
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name(3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone
SMILESO=C(c1cccc(Br)c1F)N1CCCCO1
InChIInChI=1S/C11H11BrFNO2/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-16-14/h3-5H,1-2,6-7H2
InChIKeyFOSCGNSRPZBSOW-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone (CID 106547689) is (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone is O=C(c1cccc(Br)c1F)N1CCCCO1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone?
The InChIKey is FOSCGNSRPZBSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-16-14/h3-5H,1-2,6-7H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone?
(3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone has a molecular weight of 288.12 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone is sourced from PubChem (CID 106547689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).