[(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol

C11H15F4NO — CID 172587933

IUPAC[(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol
SMILESOC[C@]1(CN2CC3(C2)CC(F)(F)C3)CC1(F)F
InChIInChI=1S/C11H15F4NO/c12-10(13)1-8(2-10)4-16(5-8)6-9(7-17)3-11(9,14)15/h17H,1-7H2/t9-/m1/s1
InChIKeyWRHYFNRACUXGPF-SECBINFHSA-N
MW253.24 g/mol
LogP1.74
Rot. Bonds3

About [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol

[(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol (PubChem CID 172587933) has the molecular formula C11H15F4NO and a molecular weight of 253.24 g/mol. Its IUPAC name is [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol.

Molecular Properties

Compound Name[(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol
PubChem CID172587933
Molecular FormulaC11H15F4NO
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name[(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol
SMILESOC[C@]1(CN2CC3(C2)CC(F)(F)C3)CC1(F)F
InChIInChI=1S/C11H15F4NO/c12-10(13)1-8(2-10)4-16(5-8)6-9(7-17)3-11(9,14)15/h17H,1-7H2/t9-/m1/s1
InChIKeyWRHYFNRACUXGPF-SECBINFHSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol?
The IUPAC name of [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol (CID 172587933) is [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol.
What is the SMILES notation for [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol?
The canonical SMILES for [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol is OC[C@]1(CN2CC3(C2)CC(F)(F)C3)CC1(F)F.
What is the InChIKey of [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol?
The InChIKey is WRHYFNRACUXGPF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15F4NO/c12-10(13)1-8(2-10)4-16(5-8)6-9(7-17)3-11(9,14)15/h17H,1-7H2/t9-/m1/s1.
What are the key properties of [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol?
[(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol has a molecular weight of 253.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2,2-difluorocyclopropyl]methanol is sourced from PubChem (CID 172587933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).