(6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol

C8H12F3NO2 — CID 118199321

IUPAC(6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6-5(14)4(13)3-12-7(6)1-2-7/h4-6,12-14H,1-3H2/t4-,5+,6-/m1/s1
InChIKeyVYEBIBDGBKZCBC-NGJCXOISSA-N
MW211.18 g/mol
LogP0.02
Rot. Bonds

About (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol

(6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118199321) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118199321
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name(6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6-5(14)4(13)3-12-7(6)1-2-7/h4-6,12-14H,1-3H2/t4-,5+,6-/m1/s1
InChIKeyVYEBIBDGBKZCBC-NGJCXOISSA-N
XLogP0.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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US10081601, Example 26
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US10081601, Example 25
CID 118197625
US10081601, Example 19
CID 118197628
US10081601, Example 4
CID 118197634
US10081601, Example 14
CID 118197680
US10081601, Example 15
CID 118197683
US10081601, Example 27
CID 118199314
US10081601, Example 28
CID 118199315
US9796680, Example 15
CID 126501551
US10081601, Example 8
CID 118197607

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol (CID 118199321) is (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol is O[C@H]1[C@H](O)CNC2(CC2)[C@@H]1C(F)(F)F.
What is the InChIKey of (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is VYEBIBDGBKZCBC-NGJCXOISSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)6-5(14)4(13)3-12-7(6)1-2-7/h4-6,12-14H,1-3H2/t4-,5+,6-/m1/s1.
What are the key properties of (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 211.18 g/mol, XLogP of 0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-(trifluoromethyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118199321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).