3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane

C15H26F2N2 — CID 177005779

IUPAC3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane
SMILESCC.CN1CCC2(CCC2N2CC3(C2)CC3(F)F)C1
InChIInChI=1S/C13H20F2N2.C2H6/c1-16-5-4-11(7-16)3-2-10(11)17-8-12(9-17)6-13(12,14)15;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyPGPBMCQHHQPRSB-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.84
Rot. Bonds1

About 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane

3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane (PubChem CID 177005779) has the molecular formula C15H26F2N2 and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane.

Molecular Properties

Compound Name3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane
PubChem CID177005779
Molecular FormulaC15H26F2N2
Molecular Weight272.38 g/mol
Exact Mass272.21
IUPAC Name3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane
SMILESCC.CN1CCC2(CCC2N2CC3(C2)CC3(F)F)C1
InChIInChI=1S/C13H20F2N2.C2H6/c1-16-5-4-11(7-16)3-2-10(11)17-8-12(9-17)6-13(12,14)15;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyPGPBMCQHHQPRSB-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane?
The IUPAC name of 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane (CID 177005779) is 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane.
What is the SMILES notation for 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane?
The canonical SMILES for 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane is CC.CN1CCC2(CCC2N2CC3(C2)CC3(F)F)C1.
What is the InChIKey of 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane?
The InChIKey is PGPBMCQHHQPRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2.C2H6/c1-16-5-4-11(7-16)3-2-10(11)17-8-12(9-17)6-13(12,14)15;1-2/h10H,2-9H2,1H3;1-2H3.
What are the key properties of 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane?
3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane has a molecular weight of 272.38 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane is sourced from PubChem (CID 177005779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).