N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide

C11H17F4NO2 — CID 103733930

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCOC1CC(NC(=O)C(F)(F)C(F)F)C1(C)C
InChIInChI=1S/C11H17F4NO2/c1-4-18-7-5-6(10(7,2)3)16-9(17)11(14,15)8(12)13/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyGIKKVUFMFIGRHW-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.21
Rot. Bonds5

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733930) has the molecular formula C11H17F4NO2 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733930
Molecular FormulaC11H17F4NO2
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCOC1CC(NC(=O)C(F)(F)C(F)F)C1(C)C
InChIInChI=1S/C11H17F4NO2/c1-4-18-7-5-6(10(7,2)3)16-9(17)11(14,15)8(12)13/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyGIKKVUFMFIGRHW-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide (CID 103733930) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide is CCOC1CC(NC(=O)C(F)(F)C(F)F)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is GIKKVUFMFIGRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO2/c1-4-18-7-5-6(10(7,2)3)16-9(17)11(14,15)8(12)13/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 271.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).