2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane

C16H27F2NO — CID 170369362

IUPAC2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane
SMILESCC(C)(C)OCC1(CN2CCC3(CC2)CC3(F)F)CC1
InChIInChI=1S/C16H27F2NO/c1-13(2,3)20-12-14(4-5-14)11-19-8-6-15(7-9-19)10-16(15,17)18/h4-12H2,1-3H3
InChIKeyBMBJRHPYGRSGIC-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.70
Rot. Bonds4

About 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane

2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane (PubChem CID 170369362) has the molecular formula C16H27F2NO and a molecular weight of 287.39 g/mol. Its IUPAC name is 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane
PubChem CID170369362
Molecular FormulaC16H27F2NO
Molecular Weight287.39 g/mol
Exact Mass287.21
IUPAC Name2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane
SMILESCC(C)(C)OCC1(CN2CCC3(CC2)CC3(F)F)CC1
InChIInChI=1S/C16H27F2NO/c1-13(2,3)20-12-14(4-5-14)11-19-8-6-15(7-9-19)10-16(15,17)18/h4-12H2,1-3H3
InChIKeyBMBJRHPYGRSGIC-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane (CID 170369362) is 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane is CC(C)(C)OCC1(CN2CCC3(CC2)CC3(F)F)CC1.
What is the InChIKey of 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane?
The InChIKey is BMBJRHPYGRSGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2NO/c1-13(2,3)20-12-14(4-5-14)11-19-8-6-15(7-9-19)10-16(15,17)18/h4-12H2,1-3H3.
What are the key properties of 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane?
2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane has a molecular weight of 287.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane is sourced from PubChem (CID 170369362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).