4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine

C14H17BrF3NO — CID 170869742

IUPAC4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1cc(Br)cc(CCCN2CCOCC2)c1
InChIInChI=1S/C14H17BrF3NO/c15-13-9-11(8-12(10-13)14(16,17)18)2-1-3-19-4-6-20-7-5-19/h8-10H,1-7H2
InChIKeyFCJXERHGEUWSFZ-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.73
Rot. Bonds4

About 4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine

4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine (PubChem CID 170869742) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
PubChem CID170869742
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1cc(Br)cc(CCCN2CCOCC2)c1
InChIInChI=1S/C14H17BrF3NO/c15-13-9-11(8-12(10-13)14(16,17)18)2-1-3-19-4-6-20-7-5-19/h8-10H,1-7H2
InChIKeyFCJXERHGEUWSFZ-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-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869712
4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
CID 170870044
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-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine
CID 170871315
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine
CID 138985674
4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
CID 170870404

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine (CID 170869742) is 4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine is FC(F)(F)c1cc(Br)cc(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine?
The InChIKey is FCJXERHGEUWSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c15-13-9-11(8-12(10-13)14(16,17)18)2-1-3-19-4-6-20-7-5-19/h8-10H,1-7H2.
What are the key properties of 4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine?
4-[3-[3-bromo-5-(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-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine is sourced from PubChem (CID 170869742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).