[(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol

C11H17F2NO2 — CID 172588196

IUPAC[(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol
SMILESOC[C@]1(CN2CC3(CCOC3)C2)CC1(F)F
InChIInChI=1S/C11H17F2NO2/c12-11(13)3-10(11,7-15)6-14-4-9(5-14)1-2-16-8-9/h15H,1-8H2/t10-/m1/s1
InChIKeyVZTPBYWOESHTHE-SNVBAGLBSA-N
MW233.26 g/mol
LogP0.73
Rot. Bonds3

About [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol

[(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol (PubChem CID 172588196) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol
PubChem CID172588196
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name[(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol
SMILESOC[C@]1(CN2CC3(CCOC3)C2)CC1(F)F
InChIInChI=1S/C11H17F2NO2/c12-11(13)3-10(11,7-15)6-14-4-9(5-14)1-2-16-8-9/h15H,1-8H2/t10-/m1/s1
InChIKeyVZTPBYWOESHTHE-SNVBAGLBSA-N
XLogP0.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol with MolForge

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Related Compounds

[1-[[(3S)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol
CID 169255501
2-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-6-oxa-2-azaspiro[3.4]octane
CID 172588412
[1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol
CID 176661039
[2,2-Difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol;ethane
CID 177009616
[3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271115
[3-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271123
[3-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271297
[3-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62272066
[3-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-yl]methanol
CID 65531656
[3-[[2,2-Difluoroethyl(methyl)amino]methyl]oxolan-3-yl]methanol
CID 116317769
[1-(6-Oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol
CID 172489602
Ethane;[1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol
CID 178038185

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol?
The IUPAC name of [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol (CID 172588196) is [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol?
The canonical SMILES for [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol is OC[C@]1(CN2CC3(CCOC3)C2)CC1(F)F.
What is the InChIKey of [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol?
The InChIKey is VZTPBYWOESHTHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13)3-10(11,7-15)6-14-4-9(5-14)1-2-16-8-9/h15H,1-8H2/t10-/m1/s1.
What are the key properties of [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol?
[(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol has a molecular weight of 233.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-difluoro-1-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)cyclopropyl]methanol is sourced from PubChem (CID 172588196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).