(3S)-3-(3-bromo-5-fluorophenyl)morpholine

C10H11BrFNO — CID 130605575

IUPAC(3S)-3-(3-bromo-5-fluorophenyl)morpholine
SMILESFc1cc(Br)cc([C@H]2COCCN2)c1
InChIInChI=1S/C10H11BrFNO/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10/h3-5,10,13H,1-2,6H2/t10-/m1/s1
InChIKeyMOCIHMWNXWLQQT-SNVBAGLBSA-N
MW260.11 g/mol
LogP2.25
Rot. Bonds1

About (3S)-3-(3-bromo-5-fluorophenyl)morpholine

(3S)-3-(3-bromo-5-fluorophenyl)morpholine (PubChem CID 130605575) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is (3S)-3-(3-bromo-5-fluorophenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(3-bromo-5-fluorophenyl)morpholine
PubChem CID130605575
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name(3S)-3-(3-bromo-5-fluorophenyl)morpholine
SMILESFc1cc(Br)cc([C@H]2COCCN2)c1
InChIInChI=1S/C10H11BrFNO/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10/h3-5,10,13H,1-2,6H2/t10-/m1/s1
InChIKeyMOCIHMWNXWLQQT-SNVBAGLBSA-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 (3S)-3-(3-bromo-5-fluorophenyl)morpholine?
The IUPAC name of (3S)-3-(3-bromo-5-fluorophenyl)morpholine (CID 130605575) is (3S)-3-(3-bromo-5-fluorophenyl)morpholine.
What is the SMILES notation for (3S)-3-(3-bromo-5-fluorophenyl)morpholine?
The canonical SMILES for (3S)-3-(3-bromo-5-fluorophenyl)morpholine is Fc1cc(Br)cc([C@H]2COCCN2)c1.
What is the InChIKey of (3S)-3-(3-bromo-5-fluorophenyl)morpholine?
The InChIKey is MOCIHMWNXWLQQT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10/h3-5,10,13H,1-2,6H2/t10-/m1/s1.
What are the key properties of (3S)-3-(3-bromo-5-fluorophenyl)morpholine?
(3S)-3-(3-bromo-5-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 (3S)-3-(3-bromo-5-fluorophenyl)morpholine is sourced from PubChem (CID 130605575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).