(5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one

C11H9BrF3NO2 — CID 66665720

IUPAC(5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one
SMILESO=C1COC[C@](c2cc(Br)ccc2F)(C(F)F)N1
InChIInChI=1S/C11H9BrF3NO2/c12-6-1-2-8(13)7(3-6)11(10(14)15)5-18-4-9(17)16-11/h1-3,10H,4-5H2,(H,16,17)/t11-/m0/s1
InChIKeySSGFCSBVNYXOAV-NSHDSACASA-N
MW324.10 g/mol
LogP2.19
Rot. Bonds2

About (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one

(5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one (PubChem CID 66665720) has the molecular formula C11H9BrF3NO2 and a molecular weight of 324.10 g/mol. Its IUPAC name is (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name(5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one
PubChem CID66665720
Molecular FormulaC11H9BrF3NO2
Molecular Weight324.10 g/mol
Exact Mass322.98
IUPAC Name(5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one
SMILESO=C1COC[C@](c2cc(Br)ccc2F)(C(F)F)N1
InChIInChI=1S/C11H9BrF3NO2/c12-6-1-2-8(13)7(3-6)11(10(14)15)5-18-4-9(17)16-11/h1-3,10H,4-5H2,(H,16,17)/t11-/m0/s1
InChIKeySSGFCSBVNYXOAV-NSHDSACASA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one?
The IUPAC name of (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one (CID 66665720) is (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one.
What is the SMILES notation for (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one?
The canonical SMILES for (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one is O=C1COC[C@](c2cc(Br)ccc2F)(C(F)F)N1.
What is the InChIKey of (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one?
The InChIKey is SSGFCSBVNYXOAV-NSHDSACASA-N. The full InChI is InChI=1S/C11H9BrF3NO2/c12-6-1-2-8(13)7(3-6)11(10(14)15)5-18-4-9(17)16-11/h1-3,10H,4-5H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one?
(5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one has a molecular weight of 324.10 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)morpholin-3-one is sourced from PubChem (CID 66665720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).