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

C10H15F2NO2 — CID 171568117

IUPAC[(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
SMILESOC[C@]1(CN2CC3(COC3)C2)CC1(F)F
InChIInChI=1S/C10H15F2NO2/c11-10(12)1-9(10,5-14)4-13-2-8(3-13)6-15-7-8/h14H,1-7H2/t9-/m1/s1
InChIKeyUHSVDKSXRYZVFR-SECBINFHSA-N
MW219.23 g/mol
LogP0.34
Rot. Bonds3

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

[(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol (PubChem CID 171568117) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is [(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
PubChem CID171568117
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name[(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol
SMILESOC[C@]1(CN2CC3(COC3)C2)CC1(F)F
InChIInChI=1S/C10H15F2NO2/c11-10(12)1-9(10,5-14)4-13-2-8(3-13)6-15-7-8/h14H,1-7H2/t9-/m1/s1
InChIKeyUHSVDKSXRYZVFR-SECBINFHSA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol?
The IUPAC name of [(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol (CID 171568117) is [(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol?
The canonical SMILES for [(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol is OC[C@]1(CN2CC3(COC3)C2)CC1(F)F.
What is the InChIKey of [(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol?
The InChIKey is UHSVDKSXRYZVFR-SECBINFHSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)1-9(10,5-14)4-13-2-8(3-13)6-15-7-8/h14H,1-7H2/t9-/m1/s1.
What are the key properties of [(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol?
[(1R)-2,2-difluoro-1-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol has a molecular weight of 219.23 g/mol, XLogP of 0.34, 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-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)cyclopropyl]methanol is sourced from PubChem (CID 171568117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).