[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate

C12H22F3NO2 — CID 121308748

IUPAC[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-6-10(2,3)9(17)18-8-11(4,5)16-7-12(13,14)15/h16H,6-8H2,1-5H3
InChIKeySLVXXGCCKIPRNI-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.90
Rot. Bonds6

About [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate

[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate (PubChem CID 121308748) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate
PubChem CID121308748
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-6-10(2,3)9(17)18-8-11(4,5)16-7-12(13,14)15/h16H,6-8H2,1-5H3
InChIKeySLVXXGCCKIPRNI-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3,3-pentafluoropropyl 2,2-dimethylbutanoate
CID 59693462
[2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethyl]sulfonyloxidanium
CID 123275050
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl 2,2-dimethylbutanoate
CID 59940556
2,2,2-trifluoroethyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate
CID 123435278
hexyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate
CID 91600817
fluoroethane;fluoromethyl 2,2-dimethylbutanoate
CID 91194207
(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate
CID 59893089
iodomethyl 2,2-dimethylbutanoate
CID 14459667
[3,3-difluoro-4-oxo-4-(2,2,2-trifluoroethoxy)butan-2-yl] 2,2-dimethylbutanoate
CID 59611868
2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2-dimethylbutanoate
CID 87414406
ethyl 2,2-dimethylbutanoate
CID 20744002
methane;methyl 2,2-dimethylbutanoate
CID 161256043

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate (CID 121308748) is [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(C)(C)NCC(F)(F)F.
What is the InChIKey of [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate?
The InChIKey is SLVXXGCCKIPRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-6-10(2,3)9(17)18-8-11(4,5)16-7-12(13,14)15/h16H,6-8H2,1-5H3.
What are the key properties of [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate?
[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate has a molecular weight of 269.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 121308748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).