4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine

C12H21F2NO — CID 134302929

IUPAC4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine
SMILESCC(C)C1(CN2CCOCC2)CC(F)(F)C1
InChIInChI=1S/C12H21F2NO/c1-10(2)11(7-12(13,14)8-11)9-15-3-5-16-6-4-15/h10H,3-9H2,1-2H3
InChIKeyCATXUXLJEGTBJL-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.39
Rot. Bonds3

About 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine

4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine (PubChem CID 134302929) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine
PubChem CID134302929
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine
SMILESCC(C)C1(CN2CCOCC2)CC(F)(F)C1
InChIInChI=1S/C12H21F2NO/c1-10(2)11(7-12(13,14)8-11)9-15-3-5-16-6-4-15/h10H,3-9H2,1-2H3
InChIKeyCATXUXLJEGTBJL-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine?
The IUPAC name of 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine (CID 134302929) is 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine.
What is the SMILES notation for 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine?
The canonical SMILES for 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine is CC(C)C1(CN2CCOCC2)CC(F)(F)C1.
What is the InChIKey of 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine?
The InChIKey is CATXUXLJEGTBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-10(2)11(7-12(13,14)8-11)9-15-3-5-16-6-4-15/h10H,3-9H2,1-2H3.
What are the key properties of 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine?
4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine has a molecular weight of 233.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine is sourced from PubChem (CID 134302929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).