4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine

C15H22F3NO2 — CID 162589088

IUPAC4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
SMILESCC1=CC(OCCN2CCOCC2)C(C)C=C1C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-11-10-14(12(2)9-13(11)15(16,17)18)21-8-5-19-3-6-20-7-4-19/h9-10,12,14H,3-8H2,1-2H3
InChIKeyRLZRXIAZYAWXMI-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.79
Rot. Bonds4

About 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine

4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine (PubChem CID 162589088) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
PubChem CID162589088
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
SMILESCC1=CC(OCCN2CCOCC2)C(C)C=C1C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-11-10-14(12(2)9-13(11)15(16,17)18)21-8-5-19-3-6-20-7-4-19/h9-10,12,14H,3-8H2,1-2H3
InChIKeyRLZRXIAZYAWXMI-UHFFFAOYSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine (CID 162589088) is 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine is CC1=CC(OCCN2CCOCC2)C(C)C=C1C(F)(F)F.
What is the InChIKey of 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine?
The InChIKey is RLZRXIAZYAWXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-11-10-14(12(2)9-13(11)15(16,17)18)21-8-5-19-3-6-20-7-4-19/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine?
4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine has a molecular weight of 305.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]morpholine is sourced from PubChem (CID 162589088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).