3-(3-bromo-2-fluorophenyl)morpholine

C10H11BrFNO — CID 83439764

IUPAC3-(3-bromo-2-fluorophenyl)morpholine
SMILESFc1c(Br)cccc1C1COCCN1
InChIInChI=1S/C10H11BrFNO/c11-8-3-1-2-7(10(8)12)9-6-14-5-4-13-9/h1-3,9,13H,4-6H2
InChIKeyQHAHTIXQYVGRDX-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.25
Rot. Bonds1

About 3-(3-bromo-2-fluorophenyl)morpholine

3-(3-bromo-2-fluorophenyl)morpholine (PubChem CID 83439764) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)morpholine.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)morpholine
PubChem CID83439764
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name3-(3-bromo-2-fluorophenyl)morpholine
SMILESFc1c(Br)cccc1C1COCCN1
InChIInChI=1S/C10H11BrFNO/c11-8-3-1-2-7(10(8)12)9-6-14-5-4-13-9/h1-3,9,13H,4-6H2
InChIKeyQHAHTIXQYVGRDX-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)morpholine?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)morpholine (CID 83439764) is 3-(3-bromo-2-fluorophenyl)morpholine.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)morpholine?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)morpholine is Fc1c(Br)cccc1C1COCCN1.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)morpholine?
The InChIKey is QHAHTIXQYVGRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-8-3-1-2-7(10(8)12)9-6-14-5-4-13-9/h1-3,9,13H,4-6H2.
What are the key properties of 3-(3-bromo-2-fluorophenyl)morpholine?
3-(3-bromo-2-fluorophenyl)morpholine has a molecular weight of 260.11 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluorophenyl)morpholine is sourced from PubChem (CID 83439764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).