3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one

C11H16F3NO2 — CID 103057768

IUPAC3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
SMILESO=C1CCOCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)7-15(9-1-2-9)5-8-6-17-4-3-10(8)16/h8-9H,1-7H2
InChIKeyBXYKIHVYAOFDGR-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.62
Rot. Bonds4

About 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one

3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one (PubChem CID 103057768) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
PubChem CID103057768
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
SMILESO=C1CCOCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)7-15(9-1-2-9)5-8-6-17-4-3-10(8)16/h8-9H,1-7H2
InChIKeyBXYKIHVYAOFDGR-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one?
The IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one (CID 103057768) is 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one?
The canonical SMILES for 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one is O=C1CCOCC1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one?
The InChIKey is BXYKIHVYAOFDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)7-15(9-1-2-9)5-8-6-17-4-3-10(8)16/h8-9H,1-7H2.
What are the key properties of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one?
3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one has a molecular weight of 251.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one is sourced from PubChem (CID 103057768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).