(2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride

C10H19Cl2F3N2 — CID 172898053

IUPAC(2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@H](C(F)(F)F)CC12CCNCC2
InChIInChI=1S/C10H17F3N2.2ClH/c11-10(12,13)7-5-8(14)9(6-7)1-3-15-4-2-9;;/h7-8,15H,1-6,14H2;2*1H/t7-,8+;;/m0../s1
InChIKeyPSKZGAFSOJSKAY-OXOJUWDDSA-N
MW295.18 g/mol
LogP2.50
Rot. Bonds

About (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride

(2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride (PubChem CID 172898053) has the molecular formula C10H19Cl2F3N2 and a molecular weight of 295.18 g/mol. Its IUPAC name is (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride.

Molecular Properties

Compound Name(2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride
PubChem CID172898053
Molecular FormulaC10H19Cl2F3N2
Molecular Weight295.18 g/mol
Exact Mass294.09
IUPAC Name(2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@H](C(F)(F)F)CC12CCNCC2
InChIInChI=1S/C10H17F3N2.2ClH/c11-10(12,13)7-5-8(14)9(6-7)1-3-15-4-2-9;;/h7-8,15H,1-6,14H2;2*1H/t7-,8+;;/m0../s1
InChIKeyPSKZGAFSOJSKAY-OXOJUWDDSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine
CID 155904281
2-(trifluoromethyl)-6-azaspiro[2.5]octane
CID 105437897
(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
CID 67879241
(2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine
CID 124526779
8-azaspiro[4.5]decan-4-amine;dihydrochloride
CID 138106142
1-(6-azaspiro[2.5]octan-2-yl)propan-2-amine
CID 84653194
2-(2-methylpropyl)-6-azaspiro[2.5]octane
CID 115013358
(4R)-3,3-difluoro-8-azaspiro[4.5]decan-4-amine
CID 167210135
7-(trifluoromethyl)-4-azaspiro[2.5]octane;hydrochloride
CID 172880664
4,4-difluoropiperidin-3-amine;hydrochloride
CID 121487885
6,6-difluorospiro[2.5]octan-2-amine;hydrochloride
CID 86276611
2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane
CID 81358747

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride?
The IUPAC name of (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride (CID 172898053) is (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride.
What is the SMILES notation for (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride?
The canonical SMILES for (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride is Cl.Cl.N[C@@H]1C[C@H](C(F)(F)F)CC12CCNCC2.
What is the InChIKey of (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride?
The InChIKey is PSKZGAFSOJSKAY-OXOJUWDDSA-N. The full InChI is InChI=1S/C10H17F3N2.2ClH/c11-10(12,13)7-5-8(14)9(6-7)1-3-15-4-2-9;;/h7-8,15H,1-6,14H2;2*1H/t7-,8+;;/m0../s1.
What are the key properties of (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride?
(2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride has a molecular weight of 295.18 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride is sourced from PubChem (CID 172898053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).