tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate

C11H18F3NO3 — CID 175900925

IUPACtert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(F)(F)F)OC1
InChIInChI=1S/C11H18F3NO3/c1-10(2,3)18-9(16)15-7-4-5-8(17-6-7)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyAYBDMEUYPZSBII-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.62
Rot. Bonds1

About tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate

tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate (PubChem CID 175900925) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate
PubChem CID175900925
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Nametert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(F)(F)F)OC1
InChIInChI=1S/C11H18F3NO3/c1-10(2,3)18-9(16)15-7-4-5-8(17-6-7)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyAYBDMEUYPZSBII-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate (CID 175900925) is tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCC(C(F)(F)F)OC1.
What is the InChIKey of tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate?
The InChIKey is AYBDMEUYPZSBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-10(2,3)18-9(16)15-7-4-5-8(17-6-7)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate?
tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate has a molecular weight of 269.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(trifluoromethyl)oxan-3-yl]carbamate is sourced from PubChem (CID 175900925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).