2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine

C15H22F3NO — CID 162554323

IUPAC2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C2(C)C=C(C(F)(F)F)C=CC2)C1
InChIInChI=1S/C15H22F3NO/c1-11(2)19-7-8-20-13(10-19)14(3)6-4-5-12(9-14)15(16,17)18/h4-5,9,11,13H,6-8,10H2,1-3H3
InChIKeyGINXPTPAMHBIBG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.55
Rot. Bonds2

About 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine

2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine (PubChem CID 162554323) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine
PubChem CID162554323
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C2(C)C=C(C(F)(F)F)C=CC2)C1
InChIInChI=1S/C15H22F3NO/c1-11(2)19-7-8-20-13(10-19)14(3)6-4-5-12(9-14)15(16,17)18/h4-5,9,11,13H,6-8,10H2,1-3H3
InChIKeyGINXPTPAMHBIBG-UHFFFAOYSA-N
XLogP3.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine (CID 162554323) is 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(C2(C)C=C(C(F)(F)F)C=CC2)C1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine?
The InChIKey is GINXPTPAMHBIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(2)19-7-8-20-13(10-19)14(3)6-4-5-12(9-14)15(16,17)18/h4-5,9,11,13H,6-8,10H2,1-3H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine?
2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine has a molecular weight of 289.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 162554323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).