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

C12H19F2NO — CID 174182376

IUPAC2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane
SMILESCOCC1(CN2CCC3(C2)CC3(F)F)CC1
InChIInChI=1S/C12H19F2NO/c1-16-9-10(2-3-10)7-15-5-4-11(8-15)6-12(11,13)14/h2-9H2,1H3
InChIKeyNSOUSASJVPDIJB-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.14
Rot. Bonds4

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

2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane (PubChem CID 174182376) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane
PubChem CID174182376
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane
SMILESCOCC1(CN2CCC3(C2)CC3(F)F)CC1
InChIInChI=1S/C12H19F2NO/c1-16-9-10(2-3-10)7-15-5-4-11(8-15)6-12(11,13)14/h2-9H2,1H3
InChIKeyNSOUSASJVPDIJB-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.14
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?
The IUPAC name of 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane (CID 174182376) is 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane.
What is the SMILES notation for 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane?
The canonical SMILES for 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane is 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?
The InChIKey is NSOUSASJVPDIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c1-16-9-10(2-3-10)7-15-5-4-11(8-15)6-12(11,13)14/h2-9H2,1H3.
What are the key properties of 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane?
2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane has a molecular weight of 231.29 g/mol, XLogP of 2.14, 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 is sourced from PubChem (CID 174182376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).