5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine

C10H19F2NO2 — CID 167664753

IUPAC5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine
SMILESCC(C)OCC1CNC(C(C)(F)F)CO1
InChIInChI=1S/C10H19F2NO2/c1-7(2)14-5-8-4-13-9(6-15-8)10(3,11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyCXOOKCAOGRHTAJ-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.42
Rot. Bonds4

About 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine

5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine (PubChem CID 167664753) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine
PubChem CID167664753
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine
SMILESCC(C)OCC1CNC(C(C)(F)F)CO1
InChIInChI=1S/C10H19F2NO2/c1-7(2)14-5-8-4-13-9(6-15-8)10(3,11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyCXOOKCAOGRHTAJ-UHFFFAOYSA-N
XLogP1.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-(methoxymethyl)morpholine
CID 130979755
2-(propan-2-yloxymethyl)oxirane
CID 159998967
(2S)-6,6-difluoro-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863619
(2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863330
5,5-diethyl-2-(propan-2-yloxymethyl)morpholine
CID 63988215
(2S)-5,5-dimethyl-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863622
2-(methoxymethyl)-5-propan-2-ylmorpholine
CID 79246310
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde
CID 174783735
(2S,5R)-2-(methoxymethyl)-5-methylmorpholine
CID 155290225
(2S,5S)-2-(methoxymethyl)-5-methylmorpholine
CID 55300146
5-tert-butyl-2-(trifluoromethyl)morpholine
CID 127013515

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine (CID 167664753) is 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine is CC(C)OCC1CNC(C(C)(F)F)CO1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine?
The InChIKey is CXOOKCAOGRHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-7(2)14-5-8-4-13-9(6-15-8)10(3,11)12/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine?
5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine has a molecular weight of 223.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine is sourced from PubChem (CID 167664753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).