tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid

C11H19F3N2O3 — CID 90266109

IUPACtert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid
SMILESCN(C)C(=O)C(CC(F)(F)F)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)16(9(18)19)7(6-11(12,13)14)8(17)15(4)5/h7H,6H2,1-5H3,(H,18,19)
InChIKeyOBTGYYXLUCNDDF-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.17
Rot. Bonds3

About tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid

tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid (PubChem CID 90266109) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid
PubChem CID90266109
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Nametert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid
SMILESCN(C)C(=O)C(CC(F)(F)F)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)16(9(18)19)7(6-11(12,13)14)8(17)15(4)5/h7H,6H2,1-5H3,(H,18,19)
InChIKeyOBTGYYXLUCNDDF-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid (CID 90266109) is tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid is CN(C)C(=O)C(CC(F)(F)F)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid?
The InChIKey is OBTGYYXLUCNDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-10(2,3)16(9(18)19)7(6-11(12,13)14)8(17)15(4)5/h7H,6H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid?
tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid has a molecular weight of 284.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 90266109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).