7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid

C9H13F2NO2 — CID 170915327

IUPAC7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid
SMILESO=C(O)C1NCC12CCC(F)(F)CC2
InChIInChI=1S/C9H13F2NO2/c10-9(11)3-1-8(2-4-9)5-12-6(8)7(13)14/h6,12H,1-5H2,(H,13,14)
InChIKeySVPZWAZGCFOTGJ-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.24
Rot. Bonds1

About 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid

7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid (PubChem CID 170915327) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid.

Molecular Properties

Compound Name7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid
PubChem CID170915327
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid
SMILESO=C(O)C1NCC12CCC(F)(F)CC2
InChIInChI=1S/C9H13F2NO2/c10-9(11)3-1-8(2-4-9)5-12-6(8)7(13)14/h6,12H,1-5H2,(H,13,14)
InChIKeySVPZWAZGCFOTGJ-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid?
The IUPAC name of 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid (CID 170915327) is 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid.
What is the SMILES notation for 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid?
The canonical SMILES for 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid is O=C(O)C1NCC12CCC(F)(F)CC2.
What is the InChIKey of 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid?
The InChIKey is SVPZWAZGCFOTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c10-9(11)3-1-8(2-4-9)5-12-6(8)7(13)14/h6,12H,1-5H2,(H,13,14).
What are the key properties of 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid?
7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid has a molecular weight of 205.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-azaspiro[3.5]nonane-3-carboxylic acid is sourced from PubChem (CID 170915327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).