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

C9H15F2NO2 — CID 118199703

IUPAC(6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol
SMILESCN1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C12CC2
InChIInChI=1S/C9H15F2NO2/c1-12-4-5(13)7(14)6(8(10)11)9(12)2-3-9/h5-8,13-14H,2-4H2,1H3/t5-,6+,7+/m1/s1
InChIKeyXDQDDBWIEPZFHJ-VQVTYTSYSA-N
MW207.22 g/mol
LogP0.07
Rot. Bonds1

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

(6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118199703) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118199703
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name(6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol
SMILESCN1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C12CC2
InChIInChI=1S/C9H15F2NO2/c1-12-4-5(13)7(14)6(8(10)11)9(12)2-3-9/h5-8,13-14H,2-4H2,1H3/t5-,6+,7+/m1/s1
InChIKeyXDQDDBWIEPZFHJ-VQVTYTSYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol 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 26
CID 118197603
US10081601, Example 4
CID 118197634
US10081601, Example 14
CID 118197680
US10081601, Example 15
CID 118197683
US10081601, Example 28
CID 118199315
US9796680, Example 15
CID 126501551
US10081601, Example 1
CID 118197630
(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol
CID 52913923
5-(2,2-Difluorocyclopropyl)piperidine-3,4-diol
CID 75631370
8-(2,2-Difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
CID 118197686
(6R,7R,8S)-8-(4,4-difluorobut-2-ynyl)-4-azaspiro[2.5]octane-6,7-diol
CID 118197785

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol (CID 118199703) is (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol is CN1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C12CC2.
What is the InChIKey of (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is XDQDDBWIEPZFHJ-VQVTYTSYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-12-4-5(13)7(14)6(8(10)11)9(12)2-3-9/h5-8,13-14H,2-4H2,1H3/t5-,6+,7+/m1/s1.
What are the key properties of (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 207.22 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118199703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).