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

C10H17F2NO2 — CID 107168058

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide
SMILESCCOC1CC(NC(=O)C(F)F)C1(C)C
InChIInChI=1S/C10H17F2NO2/c1-4-15-7-5-6(10(7,2)3)13-9(14)8(11)12/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyWGFUHFLEJFUGNA-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.57
Rot. Bonds4

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

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide (PubChem CID 107168058) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide
PubChem CID107168058
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide
SMILESCCOC1CC(NC(=O)C(F)F)C1(C)C
InChIInChI=1S/C10H17F2NO2/c1-4-15-7-5-6(10(7,2)3)13-9(14)8(11)12/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyWGFUHFLEJFUGNA-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide (CID 107168058) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide is CCOC1CC(NC(=O)C(F)F)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide?
The InChIKey is WGFUHFLEJFUGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-4-15-7-5-6(10(7,2)3)13-9(14)8(11)12/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide has a molecular weight of 221.25 g/mol, XLogP of 1.57, 4 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-difluoroacetamide is sourced from PubChem (CID 107168058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).