6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine

C15H25F3N2O2 — CID 158036977

IUPAC6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)(F)CCN1CCCC1.O=C(O)N1CCC2(CCC2)C1
InChIInChI=1S/C8H13NO2.C7H12F3N/c10-7(11)9-5-4-8(6-9)2-1-3-8;8-7(9,10)3-6-11-4-1-2-5-11/h1-6H2,(H,10,11);1-6H2
InChIKeyFHWGVPGQDUBMKC-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.58
Rot. Bonds2

About 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine

6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine (PubChem CID 158036977) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine
PubChem CID158036977
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)(F)CCN1CCCC1.O=C(O)N1CCC2(CCC2)C1
InChIInChI=1S/C8H13NO2.C7H12F3N/c10-7(11)9-5-4-8(6-9)2-1-3-8;8-7(9,10)3-6-11-4-1-2-5-11/h1-6H2,(H,10,11);1-6H2
InChIKeyFHWGVPGQDUBMKC-UHFFFAOYSA-N
XLogP3.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine (CID 158036977) is 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine is FC(F)(F)CCN1CCCC1.O=C(O)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is FHWGVPGQDUBMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C7H12F3N/c10-7(11)9-5-4-8(6-9)2-1-3-8;8-7(9,10)3-6-11-4-1-2-5-11/h1-6H2,(H,10,11);1-6H2.
What are the key properties of 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine?
6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 322.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octane-6-carboxylic acid;1-(3,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 158036977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).