4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine

C13H18F3NO2 — CID 173118582

IUPAC4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
SMILESCOCC1=CC(N2CCOCC2)CC(C(F)(F)F)=C1
InChIInChI=1S/C13H18F3NO2/c1-18-9-10-6-11(13(14,15)16)8-12(7-10)17-2-4-19-5-3-17/h6-7,12H,2-5,8-9H2,1H3
InChIKeyYUIDPJNQBALSAT-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.15
Rot. Bonds3

About 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine

4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine (PubChem CID 173118582) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
PubChem CID173118582
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
SMILESCOCC1=CC(N2CCOCC2)CC(C(F)(F)F)=C1
InChIInChI=1S/C13H18F3NO2/c1-18-9-10-6-11(13(14,15)16)8-12(7-10)17-2-4-19-5-3-17/h6-7,12H,2-5,8-9H2,1H3
InChIKeyYUIDPJNQBALSAT-UHFFFAOYSA-N
XLogP2.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine?
The IUPAC name of 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine (CID 173118582) is 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine.
What is the SMILES notation for 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine?
The canonical SMILES for 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine is COCC1=CC(N2CCOCC2)CC(C(F)(F)F)=C1.
What is the InChIKey of 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine?
The InChIKey is YUIDPJNQBALSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-18-9-10-6-11(13(14,15)16)8-12(7-10)17-2-4-19-5-3-17/h6-7,12H,2-5,8-9H2,1H3.
What are the key properties of 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine?
4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine has a molecular weight of 277.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine is sourced from PubChem (CID 173118582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).