8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide

C12H19F2N3O — CID 138016471

IUPAC8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide
SMILESNC1CN(C(=O)NC2CC(F)(F)C2)CC12CCC2
InChIInChI=1S/C12H19F2N3O/c13-12(14)4-8(5-12)16-10(18)17-6-9(15)11(7-17)2-1-3-11/h8-9H,1-7,15H2,(H,16,18)
InChIKeyKFAFGHRIMCOVTP-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.31
Rot. Bonds1

About 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide

8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide (PubChem CID 138016471) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound Name8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide
PubChem CID138016471
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide
SMILESNC1CN(C(=O)NC2CC(F)(F)C2)CC12CCC2
InChIInChI=1S/C12H19F2N3O/c13-12(14)4-8(5-12)16-10(18)17-6-9(15)11(7-17)2-1-3-11/h8-9H,1-7,15H2,(H,16,18)
InChIKeyKFAFGHRIMCOVTP-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide?
The IUPAC name of 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide (CID 138016471) is 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide is NC1CN(C(=O)NC2CC(F)(F)C2)CC12CCC2.
What is the InChIKey of 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide?
The InChIKey is KFAFGHRIMCOVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-12(14)4-8(5-12)16-10(18)17-6-9(15)11(7-17)2-1-3-11/h8-9H,1-7,15H2,(H,16,18).
What are the key properties of 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide?
8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 138016471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).