2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane

C12H19F2NO2 — CID 172588412

IUPAC2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane
SMILESCOC[C@]1(CN2CC3(CCOC3)C2)CC1(F)F
InChIInChI=1S/C12H19F2NO2/c1-16-9-11(4-12(11,13)14)7-15-5-10(6-15)2-3-17-8-10/h2-9H2,1H3/t11-/m1/s1
InChIKeyKFAZUQNQYIDPNW-LLVKDONJSA-N
MW247.28 g/mol
LogP1.38
Rot. Bonds4

About 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane

2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane (PubChem CID 172588412) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane
PubChem CID172588412
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane
SMILESCOC[C@]1(CN2CC3(CCOC3)C2)CC1(F)F
InChIInChI=1S/C12H19F2NO2/c1-16-9-11(4-12(11,13)14)7-15-5-10(6-15)2-3-17-8-10/h2-9H2,1H3/t11-/m1/s1
InChIKeyKFAZUQNQYIDPNW-LLVKDONJSA-N
XLogP1.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane with MolForge

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Related Compounds

3,3-Difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 169658905
(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxymethyl)pyrrolidine
CID 170343486
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172588089
[(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol
CID 172588196
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine
CID 176927451
Ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine
CID 176927908
6-[[2,2-Difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane
CID 177009822
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 178012487
2-Propyl-6-oxa-2-azaspiro[3.4]octane
CID 153356037
Ethane;2-ethyl-6-oxa-2-azaspiro[3.4]octane
CID 165403357
2-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane
CID 169658931
2-[(1-Methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 170374668

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane (CID 172588412) is 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane is COC[C@]1(CN2CC3(CCOC3)C2)CC1(F)F.
What is the InChIKey of 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is KFAZUQNQYIDPNW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-16-9-11(4-12(11,13)14)7-15-5-10(6-15)2-3-17-8-10/h2-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane?
2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 247.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 172588412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).