2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane

C13H23F2NO — CID 177010086

IUPAC2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane
SMILESC.COCC1(CN2CCC3(C2)CC3(F)F)CC1
InChIInChI=1S/C12H19F2NO.CH4/c1-16-9-10(2-3-10)7-15-5-4-11(8-15)6-12(11,13)14;/h2-9H2,1H3;1H4
InChIKeyRJEALAVEANSUCG-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.78
Rot. Bonds4

About 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane

2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane (PubChem CID 177010086) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane.

Molecular Properties

Compound Name2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane
PubChem CID177010086
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane
SMILESC.COCC1(CN2CCC3(C2)CC3(F)F)CC1
InChIInChI=1S/C12H19F2NO.CH4/c1-16-9-10(2-3-10)7-15-5-4-11(8-15)6-12(11,13)14;/h2-9H2,1H3;1H4
InChIKeyRJEALAVEANSUCG-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane?
The IUPAC name of 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane (CID 177010086) is 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane.
What is the SMILES notation for 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane?
The canonical SMILES for 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane is C.COCC1(CN2CCC3(C2)CC3(F)F)CC1.
What is the InChIKey of 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane?
The InChIKey is RJEALAVEANSUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO.CH4/c1-16-9-10(2-3-10)7-15-5-4-11(8-15)6-12(11,13)14;/h2-9H2,1H3;1H4.
What are the key properties of 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane?
2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane has a molecular weight of 247.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane is sourced from PubChem (CID 177010086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).