4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine

C13H18F3NO2 — CID 173192988

IUPAC4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine
SMILESCOC1=C(CN2CCOCC2)C=C(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NO2/c1-18-12-3-2-11(13(14,15)16)8-10(12)9-17-4-6-19-7-5-17/h8H,2-7,9H2,1H3
InChIKeyDIWUQRHYBKOVFC-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.50
Rot. Bonds3

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

4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine (PubChem CID 173192988) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine
PubChem CID173192988
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine
SMILESCOC1=C(CN2CCOCC2)C=C(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NO2/c1-18-12-3-2-11(13(14,15)16)8-10(12)9-17-4-6-19-7-5-17/h8H,2-7,9H2,1H3
InChIKeyDIWUQRHYBKOVFC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine?
The IUPAC name of 4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine (CID 173192988) is 4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine is COC1=C(CN2CCOCC2)C=C(C(F)(F)F)CC1.
What is the InChIKey of 4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine?
The InChIKey is DIWUQRHYBKOVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-18-12-3-2-11(13(14,15)16)8-10(12)9-17-4-6-19-7-5-17/h8H,2-7,9H2,1H3.
What are the key properties of 4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine?
4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine has a molecular weight of 277.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]morpholine is sourced from PubChem (CID 173192988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).