8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine

C15H25F2NO — CID 176800852

IUPAC8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)(C)C12CCCN1C(COC1CC1(F)F)CC2
InChIInChI=1S/C15H25F2NO/c1-13(2,3)14-6-4-8-18(14)11(5-7-14)10-19-12-9-15(12,16)17/h11-12H,4-10H2,1-3H3
InChIKeyUUWBUDYXMPJUOU-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.45
Rot. Bonds3

About 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine

8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176800852) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID176800852
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)(C)C12CCCN1C(COC1CC1(F)F)CC2
InChIInChI=1S/C15H25F2NO/c1-13(2,3)14-6-4-8-18(14)11(5-7-14)10-19-12-9-15(12,16)17/h11-12H,4-10H2,1-3H3
InChIKeyUUWBUDYXMPJUOU-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 176800852) is 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)(C)C12CCCN1C(COC1CC1(F)F)CC2.
What is the InChIKey of 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is UUWBUDYXMPJUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO/c1-13(2,3)14-6-4-8-18(14)11(5-7-14)10-19-12-9-15(12,16)17/h11-12H,4-10H2,1-3H3.
What are the key properties of 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 273.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-[(2,2-difluorocyclopropyl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176800852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).