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

C8H12F3NO — CID 118199702

IUPAC(6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol
SMILESO[C@H]1[C@H](F)CNC2(CC2)[C@@H]1C(F)F
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+/m1/s1
InChIKeyKFRHFEDANONWDI-SRQIZXRXSA-N
MW195.18 g/mol
LogP0.70
Rot. Bonds1

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

(6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol (PubChem CID 118199702) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol
PubChem CID118199702
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol
SMILESO[C@H]1[C@H](F)CNC2(CC2)[C@@H]1C(F)F
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+/m1/s1
InChIKeyKFRHFEDANONWDI-SRQIZXRXSA-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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Related Compounds

US10081601, Example 3
CID 91810852
US10081601, Example 26
CID 118197603
US10081601, Example 4
CID 118197634
US10081601, Example 14
CID 118197680
US10081601, Example 15
CID 118197683
US10081601, Example 28
CID 118199315
4-Azaspiro(2.5)octan-7-ol hydrochloride
CID 121553548
2,2,2-Trifluoro-1-(piperidin-3-yl)ethan-1-ol
CID 50990579
(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol
CID 52913923
5-(2,2-Difluorocyclopropyl)piperidine-3,4-diol
CID 75631370
4-Azaspiro[2.5]octan-7-ol
CID 82418768
4((2,2-Difluorocyclopropyl)methy)piperidin-4-ol
CID 90420072

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol?
The IUPAC name of (6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol (CID 118199702) is (6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol.
What is the SMILES notation for (6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol?
The canonical SMILES for (6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol is O[C@H]1[C@H](F)CNC2(CC2)[C@@H]1C(F)F.
What is the InChIKey of (6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol?
The InChIKey is KFRHFEDANONWDI-SRQIZXRXSA-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+/m1/s1.
What are the key properties of (6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol?
(6R,7R,8S)-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 (6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol is sourced from PubChem (CID 118199702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).