2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C10H16F2N2O2 — CID 154996348

IUPAC2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(CC(F)F)C2
InChIInChI=1S/C10H16F2N2O2/c11-8(12)5-13-6-10(7-13)1-3-14(4-2-10)9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyWWEZMMDXDWBRNW-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.33
Rot. Bonds2

About 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 154996348) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
PubChem CID154996348
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(CC(F)F)C2
InChIInChI=1S/C10H16F2N2O2/c11-8(12)5-13-6-10(7-13)1-3-14(4-2-10)9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyWWEZMMDXDWBRNW-UHFFFAOYSA-N
XLogP1.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 154996348) is 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CN(CC(F)F)C2.
What is the InChIKey of 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is WWEZMMDXDWBRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-8(12)5-13-6-10(7-13)1-3-14(4-2-10)9(15)16/h8H,1-7H2,(H,15,16).
What are the key properties of 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 154996348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).