N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide

C9H14F2N2O — CID 170193687

IUPACN-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NCC(F)F)N1CCC2(CC2)C1
InChIInChI=1S/C9H14F2N2O/c10-7(11)5-12-8(14)13-4-3-9(6-13)1-2-9/h7H,1-6H2,(H,12,14)
InChIKeyLWMMZSMPUQKPNF-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.45
Rot. Bonds2

About N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide

N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 170193687) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID170193687
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC NameN-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NCC(F)F)N1CCC2(CC2)C1
InChIInChI=1S/C9H14F2N2O/c10-7(11)5-12-8(14)13-4-3-9(6-13)1-2-9/h7H,1-6H2,(H,12,14)
InChIKeyLWMMZSMPUQKPNF-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide (CID 170193687) is N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide is O=C(NCC(F)F)N1CCC2(CC2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is LWMMZSMPUQKPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-7(11)5-12-8(14)13-4-3-9(6-13)1-2-9/h7H,1-6H2,(H,12,14).
What are the key properties of N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 204.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 170193687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).