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

C14H25F2NO — CID 177010009

IUPAC2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane
SMILESCC.COCC1(CN2CCC3(C2)CC3(F)F)CC1
InChIInChI=1S/C12H19F2NO.C2H6/c1-16-9-10(2-3-10)7-15-5-4-11(8-15)6-12(11,13)14;1-2/h2-9H2,1H3;1-2H3
InChIKeyBDDCZSMGDCPYAC-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.17
Rot. Bonds4

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

2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane (PubChem CID 177010009) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane.

Molecular Properties

Compound Name2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane
PubChem CID177010009
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane
SMILESCC.COCC1(CN2CCC3(C2)CC3(F)F)CC1
InChIInChI=1S/C12H19F2NO.C2H6/c1-16-9-10(2-3-10)7-15-5-4-11(8-15)6-12(11,13)14;1-2/h2-9H2,1H3;1-2H3
InChIKeyBDDCZSMGDCPYAC-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.17
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;ethane?
The IUPAC name of 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane (CID 177010009) is 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane.
What is the SMILES notation for 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane?
The canonical SMILES for 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane is CC.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;ethane?
The InChIKey is BDDCZSMGDCPYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO.C2H6/c1-16-9-10(2-3-10)7-15-5-4-11(8-15)6-12(11,13)14;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of 2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane?
2,2-difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane has a molecular weight of 261.36 g/mol, XLogP of 3.17, 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;ethane is sourced from PubChem (CID 177010009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).