tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate

C11H16F3NO3 — CID 91647554

IUPACtert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(C(F)(F)F)CC(=O)C1
InChIInChI=1S/C11H16F3NO3/c1-9(2,3)18-8(17)15-6-10(11(12,13)14)4-7(16)5-10/h4-6H2,1-3H3,(H,15,17)
InChIKeyXDYXCXMMKKEGSA-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate

tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate (PubChem CID 91647554) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate
PubChem CID91647554
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Nametert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(C(F)(F)F)CC(=O)C1
InChIInChI=1S/C11H16F3NO3/c1-9(2,3)18-8(17)15-6-10(11(12,13)14)4-7(16)5-10/h4-6H2,1-3H3,(H,15,17)
InChIKeyXDYXCXMMKKEGSA-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate (CID 91647554) is tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(C(F)(F)F)CC(=O)C1.
What is the InChIKey of tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate?
The InChIKey is XDYXCXMMKKEGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-9(2,3)18-8(17)15-6-10(11(12,13)14)4-7(16)5-10/h4-6H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate?
tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate has a molecular weight of 267.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate is sourced from PubChem (CID 91647554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).