methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate

C11H16F3NO2 — CID 125425391

IUPACmethyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate
SMILESCOC(=O)[C@@H]1NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C11H16F3NO2/c1-17-9(16)8-10(6-15-8)4-2-7(3-5-10)11(12,13)14/h7-8,15H,2-6H2,1H3/t7?,8-,10?/m0/s1
InChIKeyDIOLNMDWYCXLRZ-ZCUBBSJVSA-N
MW251.25 g/mol
LogP1.87
Rot. Bonds1

About methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate

methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate (PubChem CID 125425391) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate
PubChem CID125425391
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Namemethyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate
SMILESCOC(=O)[C@@H]1NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C11H16F3NO2/c1-17-9(16)8-10(6-15-8)4-2-7(3-5-10)11(12,13)14/h7-8,15H,2-6H2,1H3/t7?,8-,10?/m0/s1
InChIKeyDIOLNMDWYCXLRZ-ZCUBBSJVSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate?
The IUPAC name of methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate (CID 125425391) is methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate.
What is the SMILES notation for methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate?
The canonical SMILES for methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate is COC(=O)[C@@H]1NCC12CCC(C(F)(F)F)CC2.
What is the InChIKey of methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate?
The InChIKey is DIOLNMDWYCXLRZ-ZCUBBSJVSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-17-9(16)8-10(6-15-8)4-2-7(3-5-10)11(12,13)14/h7-8,15H,2-6H2,1H3/t7?,8-,10?/m0/s1.
What are the key properties of methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate?
methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate has a molecular weight of 251.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-7-(trifluoromethyl)-2-azaspiro[3.5]nonane-3-carboxylate is sourced from PubChem (CID 125425391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).