N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide

C9H16F2N2O2 — CID 103209324

IUPACN-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESNC1CC(NC(=O)CCOCC(F)F)C1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)5-15-2-1-9(14)13-7-3-6(12)4-7/h6-8H,1-5,12H2,(H,13,14)
InChIKeyDOFKRESLLBFLKK-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.26
Rot. Bonds6

About N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide

N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103209324) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103209324
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESNC1CC(NC(=O)CCOCC(F)F)C1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)5-15-2-1-9(14)13-7-3-6(12)4-7/h6-8H,1-5,12H2,(H,13,14)
InChIKeyDOFKRESLLBFLKK-UHFFFAOYSA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide (CID 103209324) is N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide is NC1CC(NC(=O)CCOCC(F)F)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is DOFKRESLLBFLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-8(11)5-15-2-1-9(14)13-7-3-6(12)4-7/h6-8H,1-5,12H2,(H,13,14).
What are the key properties of N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 222.23 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103209324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).