2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine

C14H18F3NO3 — CID 102634052

IUPAC2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine
SMILESCC1CNCC(COCc2ccc(OC(F)(F)F)cc2)O1
InChIInChI=1S/C14H18F3NO3/c1-10-6-18-7-13(20-10)9-19-8-11-2-4-12(5-3-11)21-14(15,16)17/h2-5,10,13,18H,6-9H2,1H3
InChIKeyVWPXJAPIKDRJDV-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.48
Rot. Bonds5

About 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine

2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine (PubChem CID 102634052) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine.

Molecular Properties

Compound Name2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine
PubChem CID102634052
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine
SMILESCC1CNCC(COCc2ccc(OC(F)(F)F)cc2)O1
InChIInChI=1S/C14H18F3NO3/c1-10-6-18-7-13(20-10)9-19-8-11-2-4-12(5-3-11)21-14(15,16)17/h2-5,10,13,18H,6-9H2,1H3
InChIKeyVWPXJAPIKDRJDV-UHFFFAOYSA-N
XLogP2.48
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine?
The IUPAC name of 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine (CID 102634052) is 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine.
What is the SMILES notation for 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine?
The canonical SMILES for 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine is CC1CNCC(COCc2ccc(OC(F)(F)F)cc2)O1.
What is the InChIKey of 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine?
The InChIKey is VWPXJAPIKDRJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-10-6-18-7-13(20-10)9-19-8-11-2-4-12(5-3-11)21-14(15,16)17/h2-5,10,13,18H,6-9H2,1H3.
What are the key properties of 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine?
2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine has a molecular weight of 305.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine is sourced from PubChem (CID 102634052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).