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

C7H12F3NO — CID 60892554

IUPAC4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one
SMILESCC(=O)CCN(C)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(12)3-4-11(2)5-7(8,9)10/h3-5H2,1-2H3
InChIKeyFKEXEKAOSRJZSM-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.46
Rot. Bonds4

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

4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one (PubChem CID 60892554) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one
PubChem CID60892554
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one
SMILESCC(=O)CCN(C)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(12)3-4-11(2)5-7(8,9)10/h3-5H2,1-2H3
InChIKeyFKEXEKAOSRJZSM-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Diethylamino)-3,4,4-trifluorobutan-2-one
CID 20449861
4-(Dimethylamino)-3,3-difluorobutan-2-one
CID 20671608
1-[Methyl(2,2,2-trifluoroethyl)amino]propan-2-one
CID 60891591
4-(Dimethylamino)-1,1,1-trifluorobutan-2-one
CID 82534999
3-(Diethylamino)-2-fluoropropanoyl fluoride
CID 88613986
3-(Diethylamino)-3-fluoropropanoyl fluoride
CID 88613987
4-[Ethyl(fluoromethyl)amino]butan-2-one
CID 123642252
1-Ethyl-3,3-difluoropiperidin-4-one
CID 123872788
4-(Dimethylamino)-3-fluorobutan-2-one
CID 139565609
1-[1,1-Difluoropropyl(methyl)amino]butan-2-one
CID 154671416
1-[1,1-Difluoroethyl(methyl)amino]propan-2-one
CID 155034026
3,3-Difluoro-1-methylpiperidin-4-one
CID 166067887

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one (CID 60892554) is 4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one is CC(=O)CCN(C)CC(F)(F)F.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one?
The InChIKey is FKEXEKAOSRJZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(12)3-4-11(2)5-7(8,9)10/h3-5H2,1-2H3.
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one?
4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one has a molecular weight of 183.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-one is sourced from PubChem (CID 60892554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).