1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one

C9H16F3NO2 — CID 107507220

IUPAC1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one
SMILESCOCC(=O)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO2/c1-7(2)13(6-9(10,11)12)4-8(14)5-15-3/h7H,4-6H2,1-3H3
InChIKeyUBYYHFBDIDHEQC-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.47
Rot. Bonds6

About 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one

1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one (PubChem CID 107507220) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one
PubChem CID107507220
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one
SMILESCOCC(=O)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO2/c1-7(2)13(6-9(10,11)12)4-8(14)5-15-3/h7H,4-6H2,1-3H3
InChIKeyUBYYHFBDIDHEQC-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one
CID 107507348
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetohydrazide
CID 63584107
2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60779660
1-(1-methylpyrrol-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010509
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073352
2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261024
1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
CID 107507210
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one
CID 107507543
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone
CID 55010317
1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010269

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one?
The IUPAC name of 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one (CID 107507220) is 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one.
What is the SMILES notation for 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one?
The canonical SMILES for 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one is COCC(=O)CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one?
The InChIKey is UBYYHFBDIDHEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(2)13(6-9(10,11)12)4-8(14)5-15-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one?
1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one has a molecular weight of 227.23 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one is sourced from PubChem (CID 107507220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).