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

C8H13F2NO — CID 118199699

IUPAC(6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol
SMILESO[C@@H]1[C@@H](CF)C2(CC2)NC[C@@H]1F
InChIInChI=1S/C8H13F2NO/c9-3-5-7(12)6(10)4-11-8(5)1-2-8/h5-7,11-12H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyFTTOKVKUYOXZKQ-DSYKOEDSSA-N
MW177.19 g/mol
LogP0.41
Rot. Bonds1

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

(6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol (PubChem CID 118199699) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol.

Molecular Properties

Compound Name(6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol
PubChem CID118199699
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name(6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol
SMILESO[C@@H]1[C@@H](CF)C2(CC2)NC[C@@H]1F
InChIInChI=1S/C8H13F2NO/c9-3-5-7(12)6(10)4-11-8(5)1-2-8/h5-7,11-12H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyFTTOKVKUYOXZKQ-DSYKOEDSSA-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

Analyze (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The IUPAC name of (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol (CID 118199699) is (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol.
What is the SMILES notation for (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The canonical SMILES for (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol is O[C@@H]1[C@@H](CF)C2(CC2)NC[C@@H]1F.
What is the InChIKey of (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The InChIKey is FTTOKVKUYOXZKQ-DSYKOEDSSA-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/t5-,6+,7-/m1/s1.
What are the key properties of (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol?
(6S,7R,8S)-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 (6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol is sourced from PubChem (CID 118199699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).