7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane

C13H21F2NO2 — CID 178037764

IUPAC7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESCOC[C@]1(CN2CCC3(CCOC3)C2)CC1(F)F
InChIInChI=1S/C13H21F2NO2/c1-17-10-12(6-13(12,14)15)8-16-4-2-11(7-16)3-5-18-9-11/h2-10H2,1H3/t11?,12-/m1/s1
InChIKeyHINKBIFHPSJNIK-PIJUOVFKSA-N
MW261.31 g/mol
LogP1.77
Rot. Bonds4

About 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane

7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 178037764) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane
PubChem CID178037764
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESCOC[C@]1(CN2CCC3(CCOC3)C2)CC1(F)F
InChIInChI=1S/C13H21F2NO2/c1-17-10-12(6-13(12,14)15)8-16-4-2-11(7-16)3-5-18-9-11/h2-10H2,1H3/t11?,12-/m1/s1
InChIKeyHINKBIFHPSJNIK-PIJUOVFKSA-N
XLogP1.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane (CID 178037764) is 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane is COC[C@]1(CN2CCC3(CCOC3)C2)CC1(F)F.
What is the InChIKey of 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is HINKBIFHPSJNIK-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-17-10-12(6-13(12,14)15)8-16-4-2-11(7-16)3-5-18-9-11/h2-10H2,1H3/t11?,12-/m1/s1.
What are the key properties of 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane?
7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 261.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 178037764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).