9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid

C12H20F2N2O2 — CID 151063050

IUPAC9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C12H20F2N2O2/c13-10(14)9-15-5-1-12(2-6-15)3-7-16(8-4-12)11(17)18/h10H,1-9H2,(H,17,18)
InChIKeyMGONLELDGMGPKH-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.11
Rot. Bonds2

About 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid

9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 151063050) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
PubChem CID151063050
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C12H20F2N2O2/c13-10(14)9-15-5-1-12(2-6-15)3-7-16(8-4-12)11(17)18/h10H,1-9H2,(H,17,18)
InChIKeyMGONLELDGMGPKH-UHFFFAOYSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid (CID 151063050) is 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid is O=C(O)N1CCC2(CCN(CC(F)F)CC2)CC1.
What is the InChIKey of 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is MGONLELDGMGPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c13-10(14)9-15-5-1-12(2-6-15)3-7-16(8-4-12)11(17)18/h10H,1-9H2,(H,17,18).
What are the key properties of 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 262.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 151063050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).