4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine

C15H20F3NO — CID 58525019

IUPAC4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-14(2,3)11-4-5-13(12(10-11)15(16,17)18)19-6-8-20-9-7-19/h4-5,10H,6-9H2,1-3H3
InChIKeyNYHJEIMVGPKIBF-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.84
Rot. Bonds1

About 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine

4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine (PubChem CID 58525019) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
PubChem CID58525019
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-14(2,3)11-4-5-13(12(10-11)15(16,17)18)19-6-8-20-9-7-19/h4-5,10H,6-9H2,1-3H3
InChIKeyNYHJEIMVGPKIBF-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-ditert-butylphenyl)morpholine
CID 59709213
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
CID 70672464
4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine
CID 121300583
4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine
CID 176746640
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 59556629
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
1-[4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(dimethylamino)propan-1-one
CID 58525168
4-[4-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine
CID 88941861
4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 143086063

Frequently Asked Questions

What is the IUPAC name of 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine (CID 58525019) is 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine is CC(C)(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine?
The InChIKey is NYHJEIMVGPKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-14(2,3)11-4-5-13(12(10-11)15(16,17)18)19-6-8-20-9-7-19/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine?
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine has a molecular weight of 287.32 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 58525019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).