6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane

C11H17F2NO2 — CID 177009822

IUPAC6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOCC1(CN2CC3(COC3)C2)CC1(F)F
InChIInChI=1S/C11H17F2NO2/c1-15-8-10(2-11(10,12)13)5-14-3-9(4-14)6-16-7-9/h2-8H2,1H3
InChIKeyFWKIUUFZPHWJPY-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.99
Rot. Bonds4

About 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane

6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 177009822) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID177009822
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOCC1(CN2CC3(COC3)C2)CC1(F)F
InChIInChI=1S/C11H17F2NO2/c1-15-8-10(2-11(10,12)13)5-14-3-9(4-14)6-16-7-9/h2-8H2,1H3
InChIKeyFWKIUUFZPHWJPY-UHFFFAOYSA-N
XLogP0.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane with MolForge

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Related Compounds

ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 166534171
3,3-Difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 169658905
[(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
CID 171568117
3-(Fluoromethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172349323
2-(Fluoromethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172350489
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172588089
2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane
CID 172588412
[2,2-Difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
CID 177009181
Potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate
CID 177009460
[2,2-Difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane
CID 177009616
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 178012487
N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 166534172

Frequently Asked Questions

What is the IUPAC name of 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane (CID 177009822) is 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane is COCC1(CN2CC3(COC3)C2)CC1(F)F.
What is the InChIKey of 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is FWKIUUFZPHWJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-15-8-10(2-11(10,12)13)5-14-3-9(4-14)6-16-7-9/h2-8H2,1H3.
What are the key properties of 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane?
6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 233.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 177009822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).