4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine

C12H21F2NO2 — CID 170412248

IUPAC4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine
SMILESCC(C)OCC1(CN2CCOCC2)CC1(F)F
InChIInChI=1S/C12H21F2NO2/c1-10(2)17-9-11(7-12(11,13)14)8-15-3-5-16-6-4-15/h10H,3-9H2,1-2H3
InChIKeyFMQZAGLZXDBJEH-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.77
Rot. Bonds5

About 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine

4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine (PubChem CID 170412248) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine
PubChem CID170412248
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine
SMILESCC(C)OCC1(CN2CCOCC2)CC1(F)F
InChIInChI=1S/C12H21F2NO2/c1-10(2)17-9-11(7-12(11,13)14)8-15-3-5-16-6-4-15/h10H,3-9H2,1-2H3
InChIKeyFMQZAGLZXDBJEH-UHFFFAOYSA-N
XLogP1.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine?
The IUPAC name of 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine (CID 170412248) is 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine.
What is the SMILES notation for 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine?
The canonical SMILES for 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine is CC(C)OCC1(CN2CCOCC2)CC1(F)F.
What is the InChIKey of 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine?
The InChIKey is FMQZAGLZXDBJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-10(2)17-9-11(7-12(11,13)14)8-15-3-5-16-6-4-15/h10H,3-9H2,1-2H3.
What are the key properties of 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine?
4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine has a molecular weight of 249.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine is sourced from PubChem (CID 170412248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).