[2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid

C10H17F3N2O3 — CID 87869838

IUPAC[2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
SMILESCC(C)(C)C(C)(NC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(2,3)9(4,15-7(17)18)6(16)14-5-10(11,12)13/h15H,5H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyIVWZHTIKSWPJGJ-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.74
Rot. Bonds3

About [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid

[2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid (PubChem CID 87869838) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
PubChem CID87869838
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name[2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
SMILESCC(C)(C)C(C)(NC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(2,3)9(4,15-7(17)18)6(16)14-5-10(11,12)13/h15H,5H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyIVWZHTIKSWPJGJ-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid?
The IUPAC name of [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid (CID 87869838) is [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid.
What is the SMILES notation for [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid?
The canonical SMILES for [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid is CC(C)(C)C(C)(NC(=O)O)C(=O)NCC(F)(F)F.
What is the InChIKey of [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid?
The InChIKey is IVWZHTIKSWPJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-8(2,3)9(4,15-7(17)18)6(16)14-5-10(11,12)13/h15H,5H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid?
[2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid has a molecular weight of 270.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,3-trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid is sourced from PubChem (CID 87869838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).