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

C9H14F3NO2 — CID 103057743

IUPAC3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
SMILESCN(CC1COCCC1=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13(6-9(10,11)12)4-7-5-15-3-2-8(7)14/h7H,2-6H2,1H3
InChIKeySCUWEEWVQRXDKM-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.09
Rot. Bonds3

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

3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one (PubChem CID 103057743) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
PubChem CID103057743
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
SMILESCN(CC1COCCC1=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13(6-9(10,11)12)4-7-5-15-3-2-8(7)14/h7H,2-6H2,1H3
InChIKeySCUWEEWVQRXDKM-UHFFFAOYSA-N
XLogP1.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Diethylamino-3-trifluoroacetyl-tetrahydropyran
CID 15422501
7-(2,2,2-Trifluoroethyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
CID 68036554
Ethyl 1-ethyl-5,5-difluoro-4-oxopiperidine-3-carboxylate
CID 123476044
4-[(5-Fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one
CID 170366272
3-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
CID 103057766
3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
CID 103057767
3-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
CID 103057768
3-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
CID 103057770
3-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-one
CID 103058061
3-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]oxan-4-one
CID 103058062
3-[[2,2-Difluoroethyl(methyl)amino]methyl]oxan-4-one
CID 103058175
3-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one
CID 107486402

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one?
The IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one (CID 103057743) is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one?
The canonical SMILES for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one is CN(CC1COCCC1=O)CC(F)(F)F.
What is the InChIKey of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one?
The InChIKey is SCUWEEWVQRXDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-13(6-9(10,11)12)4-7-5-15-3-2-8(7)14/h7H,2-6H2,1H3.
What are the key properties of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one?
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one has a molecular weight of 225.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one is sourced from PubChem (CID 103057743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).