8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol

C8H13F2NO — CID 144874039

IUPAC8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol
SMILESOC1CNC2(CC2)C(C(F)F)C1
InChIInChI=1S/C8H13F2NO/c9-7(10)6-3-5(12)4-11-8(6)1-2-8/h5-7,11-12H,1-4H2
InChIKeyPBGCXRGHGNMDBF-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.75
Rot. Bonds1

About 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol

8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol (PubChem CID 144874039) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol.

Molecular Properties

Compound Name8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol
PubChem CID144874039
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol
SMILESOC1CNC2(CC2)C(C(F)F)C1
InChIInChI=1S/C8H13F2NO/c9-7(10)6-3-5(12)4-11-8(6)1-2-8/h5-7,11-12H,1-4H2
InChIKeyPBGCXRGHGNMDBF-UHFFFAOYSA-N
XLogP0.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol?
The IUPAC name of 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol (CID 144874039) is 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol.
What is the SMILES notation for 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol?
The canonical SMILES for 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol is OC1CNC2(CC2)C(C(F)F)C1.
What is the InChIKey of 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol?
The InChIKey is PBGCXRGHGNMDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-7(10)6-3-5(12)4-11-8(6)1-2-8/h5-7,11-12H,1-4H2.
What are the key properties of 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol?
8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol has a molecular weight of 177.19 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-4-azaspiro[2.5]octan-6-ol is sourced from PubChem (CID 144874039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).