7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid

C9H14FNO3 — CID 135373577

IUPAC7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESO=C(O)N1CC2(CC(O)C2)CC1CF
InChIInChI=1S/C9H14FNO3/c10-4-6-1-9(2-7(12)3-9)5-11(6)8(13)14/h6-7,12H,1-5H2,(H,13,14)
InChIKeyZFPLPTUONOVINW-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.85
Rot. Bonds1

About 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid

7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 135373577) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID135373577
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Name7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESO=C(O)N1CC2(CC(O)C2)CC1CF
InChIInChI=1S/C9H14FNO3/c10-4-6-1-9(2-7(12)3-9)5-11(6)8(13)14/h6-7,12H,1-5H2,(H,13,14)
InChIKeyZFPLPTUONOVINW-UHFFFAOYSA-N
XLogP0.85
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid (CID 135373577) is 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid is O=C(O)N1CC2(CC(O)C2)CC1CF.
What is the InChIKey of 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is ZFPLPTUONOVINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3/c10-4-6-1-9(2-7(12)3-9)5-11(6)8(13)14/h6-7,12H,1-5H2,(H,13,14).
What are the key properties of 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid?
7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 203.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)-2-hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 135373577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).