potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate

C10H14F2KNO2 — CID 177009460

IUPACpotassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate
SMILES[K+].[O-]CC1(CN2CC3(COC3)C2)CC1(F)F
InChIInChI=1S/C10H14F2NO2.K/c11-10(12)1-9(10,5-14)4-13-2-8(3-13)6-15-7-8;/h1-7H2;/q-1;+1
InChIKeyZRGXILWWOATFPZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP-3.29
Rot. Bonds3

About potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate

potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate (PubChem CID 177009460) has the molecular formula C10H14F2KNO2 and a molecular weight of 257.32 g/mol. Its IUPAC name is potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate.

Molecular Properties

Compound Namepotassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate
PubChem CID177009460
Molecular FormulaC10H14F2KNO2
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Namepotassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate
SMILES[K+].[O-]CC1(CN2CC3(COC3)C2)CC1(F)F
InChIInChI=1S/C10H14F2NO2.K/c11-10(12)1-9(10,5-14)4-13-2-8(3-13)6-15-7-8;/h1-7H2;/q-1;+1
InChIKeyZRGXILWWOATFPZ-UHFFFAOYSA-N
XLogP-3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-3.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
CID 171568117
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172588089
[2,2-Difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
CID 177009181
[2,2-Difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane
CID 177009616
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

Frequently Asked Questions

What is the IUPAC name of potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate?
The IUPAC name of potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate (CID 177009460) is potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate.
What is the SMILES notation for potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate?
The canonical SMILES for potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate is [K+].[O-]CC1(CN2CC3(COC3)C2)CC1(F)F.
What is the InChIKey of potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate?
The InChIKey is ZRGXILWWOATFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2NO2.K/c11-10(12)1-9(10,5-14)4-13-2-8(3-13)6-15-7-8;/h1-7H2;/q-1;+1.
What are the key properties of potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate?
potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate has a molecular weight of 257.32 g/mol, XLogP of -3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanolate is sourced from PubChem (CID 177009460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).