(2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine

C11H13BrFNO — CID 170319466

IUPAC(2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine
SMILESC[C@@]1(c2cccc(Br)c2F)CNCCO1
InChIInChI=1S/C11H13BrFNO/c1-11(7-14-5-6-15-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m0/s1
InChIKeyJZPBWVMODCMDRO-NSHDSACASA-N
MW274.13 g/mol
LogP2.42
Rot. Bonds1

About (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine

(2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine (PubChem CID 170319466) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine.

Molecular Properties

Compound Name(2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine
PubChem CID170319466
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name(2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine
SMILESC[C@@]1(c2cccc(Br)c2F)CNCCO1
InChIInChI=1S/C11H13BrFNO/c1-11(7-14-5-6-15-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m0/s1
InChIKeyJZPBWVMODCMDRO-NSHDSACASA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine?
The IUPAC name of (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine (CID 170319466) is (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine.
What is the SMILES notation for (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine?
The canonical SMILES for (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine is C[C@@]1(c2cccc(Br)c2F)CNCCO1.
What is the InChIKey of (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine?
The InChIKey is JZPBWVMODCMDRO-NSHDSACASA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(7-14-5-6-15-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m0/s1.
What are the key properties of (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine?
(2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine has a molecular weight of 274.13 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine is sourced from PubChem (CID 170319466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).