6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol

C8H13F2NO — CID 123282566

IUPAC6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol
SMILESOC1C(F)CNC2(CC2)C1CF
InChIInChI=1S/C8H13F2NO/c9-3-5-7(12)6(10)4-11-8(5)1-2-8/h5-7,11-12H,1-4H2
InChIKeyFTTOKVKUYOXZKQ-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.41
Rot. Bonds1

About 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol

6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol (PubChem CID 123282566) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol.

Molecular Properties

Compound Name6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol
PubChem CID123282566
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol
SMILESOC1C(F)CNC2(CC2)C1CF
InChIInChI=1S/C8H13F2NO/c9-3-5-7(12)6(10)4-11-8(5)1-2-8/h5-7,11-12H,1-4H2
InChIKeyFTTOKVKUYOXZKQ-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

US10081601, Example 3
CID 91810852
US10081601, Example 4
CID 118197634
US10081601, Example 14
CID 118197680
US10081601, Example 15
CID 118197683
US9796680, Example 15
CID 126501551
4-Azaspiro(2.5)octan-7-ol hydrochloride
CID 121553548
4-Azaspiro[2.5]octan-7-ol
CID 82418768
4((2,2-Difluorocyclopropyl)methy)piperidin-4-ol
CID 90420072
8-(2,2-Difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
CID 118197686
(6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
CID 118199308
(6R,7R,8S)-8-[(1R)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
CID 118199309
(6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
CID 118199321

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The IUPAC name of 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol (CID 123282566) is 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol.
What is the SMILES notation for 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The canonical SMILES for 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol is OC1C(F)CNC2(CC2)C1CF.
What is the InChIKey of 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The InChIKey is FTTOKVKUYOXZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-3-5-7(12)6(10)4-11-8(5)1-2-8/h5-7,11-12H,1-4H2.
What are the key properties of 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol?
6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol has a molecular weight of 177.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol is sourced from PubChem (CID 123282566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).