tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate

C11H19F2NO3 — CID 156855606

IUPACtert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(COC(F)F)C1
InChIInChI=1S/C11H19F2NO3/c1-11(2,3)17-10(15)14-8-4-7(5-8)6-16-9(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyOYQAGQVMMINHFQ-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate

tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate (PubChem CID 156855606) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate
PubChem CID156855606
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Nametert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(COC(F)F)C1
InChIInChI=1S/C11H19F2NO3/c1-11(2,3)17-10(15)14-8-4-7(5-8)6-16-9(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyOYQAGQVMMINHFQ-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate (CID 156855606) is tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(COC(F)F)C1.
What is the InChIKey of tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate?
The InChIKey is OYQAGQVMMINHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-11(2,3)17-10(15)14-8-4-7(5-8)6-16-9(12)13/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate?
tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate has a molecular weight of 251.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate is sourced from PubChem (CID 156855606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).