4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine

C14H18F3NO — CID 70644246

IUPAC4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-10(2)12-4-3-11(9-13(12)14(15,16)17)18-5-7-19-8-6-18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZNNBXXYYSZMTEG-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.67
Rot. Bonds2

About 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine

4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine (PubChem CID 70644246) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine
PubChem CID70644246
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-10(2)12-4-3-11(9-13(12)14(15,16)17)18-5-7-19-8-6-18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZNNBXXYYSZMTEG-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine (CID 70644246) is 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine is CC(C)c1ccc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine?
The InChIKey is ZNNBXXYYSZMTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10(2)12-4-3-11(9-13(12)14(15,16)17)18-5-7-19-8-6-18/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine?
4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine has a molecular weight of 273.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 70644246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).