[2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane

C12H21F2NO2 — CID 177009616

IUPAC[2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane
SMILESCC.OCC1(CN2CC3(COC3)C2)CC1(F)F
InChIInChI=1S/C10H15F2NO2.C2H6/c11-10(12)1-9(10,5-14)4-13-2-8(3-13)6-15-7-8;1-2/h14H,1-7H2;1-2H3
InChIKeyANKRXAGXOZZRKH-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.36
Rot. Bonds3

About [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane

[2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane (PubChem CID 177009616) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane.

Molecular Properties

Compound Name[2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane
PubChem CID177009616
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name[2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane
SMILESCC.OCC1(CN2CC3(COC3)C2)CC1(F)F
InChIInChI=1S/C10H15F2NO2.C2H6/c11-10(12)1-9(10,5-14)4-13-2-8(3-13)6-15-7-8;1-2/h14H,1-7H2;1-2H3
InChIKeyANKRXAGXOZZRKH-UHFFFAOYSA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane with MolForge

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Related Compounds

(3-Methylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanol
CID 163519813
[1-[(3,3-Difluoroazetidin-1-yl)methyl]cyclopropyl]methanol
CID 169901466
[(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
CID 171568117
[(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol
CID 172588105
[(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol
CID 172588196
[(1R)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol
CID 172588259
[1-(Azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol
CID 176377786
[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
6-[[2,2-Difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-6-azaspiro[3.3]heptane
CID 177009822
[1-[(3,3-Difluoroazetidin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 178038025
[(1R)-2,2-difluoro-1-[(3-fluoroazetidin-1-yl)methyl]cyclopropyl]methanol
CID 178065691

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane?
The IUPAC name of [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane (CID 177009616) is [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane.
What is the SMILES notation for [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane?
The canonical SMILES for [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane is CC.OCC1(CN2CC3(COC3)C2)CC1(F)F.
What is the InChIKey of [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane?
The InChIKey is ANKRXAGXOZZRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2.C2H6/c11-10(12)1-9(10,5-14)4-13-2-8(3-13)6-15-7-8;1-2/h14H,1-7H2;1-2H3.
What are the key properties of [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane?
[2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane has a molecular weight of 249.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane is sourced from PubChem (CID 177009616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).