3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine

C10H18F3NO2 — CID 176871789

IUPAC3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine
SMILESCOCC1COCC(C(F)(F)F)N1C(C)C
InChIInChI=1S/C10H18F3NO2/c1-7(2)14-8(4-15-3)5-16-6-9(14)10(11,12)13/h7-9H,4-6H2,1-3H3
InChIKeyMMSWOIBHHVAWNV-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.67
Rot. Bonds3

About 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine

3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine (PubChem CID 176871789) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine
PubChem CID176871789
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine
SMILESCOCC1COCC(C(F)(F)F)N1C(C)C
InChIInChI=1S/C10H18F3NO2/c1-7(2)14-8(4-15-3)5-16-6-9(14)10(11,12)13/h7-9H,4-6H2,1-3H3
InChIKeyMMSWOIBHHVAWNV-UHFFFAOYSA-N
XLogP1.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine?
The IUPAC name of 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine (CID 176871789) is 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine.
What is the SMILES notation for 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine?
The canonical SMILES for 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine is COCC1COCC(C(F)(F)F)N1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine?
The InChIKey is MMSWOIBHHVAWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(2)14-8(4-15-3)5-16-6-9(14)10(11,12)13/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine?
3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine has a molecular weight of 241.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine is sourced from PubChem (CID 176871789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).