(6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol

C8H12F3NO — CID 126539713

IUPAC(6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol
SMILESO[C@@H]1C(C(F)F)C2(CC2)NC[C@@H]1F
InChIInChI=1S/C8H12F3NO/c9-4-3-12-8(1-2-8)5(6(4)13)7(10)11/h4-7,12-13H,1-3H2/t4-,5?,6-/m0/s1
InChIKeyKFRHFEDANONWDI-BZWZBFKDSA-N
MW195.18 g/mol
LogP0.70
Rot. Bonds1

About (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol

(6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol (PubChem CID 126539713) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol.

Molecular Properties

Compound Name(6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol
PubChem CID126539713
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol
SMILESO[C@@H]1C(C(F)F)C2(CC2)NC[C@@H]1F
InChIInChI=1S/C8H12F3NO/c9-4-3-12-8(1-2-8)5(6(4)13)7(10)11/h4-7,12-13H,1-3H2/t4-,5?,6-/m0/s1
InChIKeyKFRHFEDANONWDI-BZWZBFKDSA-N
XLogP0.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol?
The IUPAC name of (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol (CID 126539713) is (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol.
What is the SMILES notation for (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol?
The canonical SMILES for (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol is O[C@@H]1C(C(F)F)C2(CC2)NC[C@@H]1F.
What is the InChIKey of (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol?
The InChIKey is KFRHFEDANONWDI-BZWZBFKDSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-4-3-12-8(1-2-8)5(6(4)13)7(10)11/h4-7,12-13H,1-3H2/t4-,5?,6-/m0/s1.
What are the key properties of (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol?
(6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol has a molecular weight of 195.18 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol is sourced from PubChem (CID 126539713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).