(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine

C11H11BrF3NO — CID 171193208

IUPAC(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1cc(Br)cc([C@H]2COCCN2)c1
InChIInChI=1S/C11H11BrF3NO/c12-9-4-7(10-6-17-2-1-16-10)3-8(5-9)11(13,14)15/h3-5,10,16H,1-2,6H2/t10-/m1/s1
InChIKeyNXUGAPFHUAVGBF-SNVBAGLBSA-N
MW310.11 g/mol
LogP3.13
Rot. Bonds1

About (3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine

(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine (PubChem CID 171193208) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is (3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine
PubChem CID171193208
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1cc(Br)cc([C@H]2COCCN2)c1
InChIInChI=1S/C11H11BrF3NO/c12-9-4-7(10-6-17-2-1-16-10)3-8(5-9)11(13,14)15/h3-5,10,16H,1-2,6H2/t10-/m1/s1
InChIKeyNXUGAPFHUAVGBF-SNVBAGLBSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.13
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-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of (3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine (CID 171193208) is (3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for (3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for (3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1cc(Br)cc([C@H]2COCCN2)c1.
What is the InChIKey of (3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine?
The InChIKey is NXUGAPFHUAVGBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c12-9-4-7(10-6-17-2-1-16-10)3-8(5-9)11(13,14)15/h3-5,10,16H,1-2,6H2/t10-/m1/s1.
What are the key properties of (3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine?
(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine has a molecular weight of 310.11 g/mol, XLogP of 3.13, 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-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 171193208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).