4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine

C14H17BrF3NO — CID 170870044

IUPAC4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1cc(CCCN2CCOCC2)ccc1Br
InChIInChI=1S/C14H17BrF3NO/c15-13-4-3-11(10-12(13)14(16,17)18)2-1-5-19-6-8-20-9-7-19/h3-4,10H,1-2,5-9H2
InChIKeyQSJLNCHOKQSAHN-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.73
Rot. Bonds4

About 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine

4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine (PubChem CID 170870044) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
PubChem CID170870044
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1cc(CCCN2CCOCC2)ccc1Br
InChIInChI=1S/C14H17BrF3NO/c15-13-4-3-11(10-12(13)14(16,17)18)2-1-5-19-6-8-20-9-7-19/h3-4,10H,1-2,5-9H2
InChIKeyQSJLNCHOKQSAHN-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869742
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
CID 170869303
4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
CID 170870098
4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869712
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
4-(3-quinoxalin-6-ylpropyl)morpholine
CID 170869858
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
4-[3-(1H-indazol-5-yl)propyl]morpholine
CID 170870011
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[3-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propyl]morpholine
CID 170870224

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine (CID 170870044) is 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine is FC(F)(F)c1cc(CCCN2CCOCC2)ccc1Br.
What is the InChIKey of 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine?
The InChIKey is QSJLNCHOKQSAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c15-13-4-3-11(10-12(13)14(16,17)18)2-1-5-19-6-8-20-9-7-19/h3-4,10H,1-2,5-9H2.
What are the key properties of 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine?
4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine has a molecular weight of 352.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine is sourced from PubChem (CID 170870044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).