2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide

C9H15F2NO2 — CID 107168095

IUPAC2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
SMILESCOC1CC(NC(=O)C(F)F)C1(C)C
InChIInChI=1S/C9H15F2NO2/c1-9(2)5(4-6(9)14-3)12-8(13)7(10)11/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyNKWAZBHETIDSIB-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.18
Rot. Bonds3

About 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide

2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide (PubChem CID 107168095) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
PubChem CID107168095
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
SMILESCOC1CC(NC(=O)C(F)F)C1(C)C
InChIInChI=1S/C9H15F2NO2/c1-9(2)5(4-6(9)14-3)12-8(13)7(10)11/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyNKWAZBHETIDSIB-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide (CID 107168095) is 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide is COC1CC(NC(=O)C(F)F)C1(C)C.
What is the InChIKey of 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide?
The InChIKey is NKWAZBHETIDSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-9(2)5(4-6(9)14-3)12-8(13)7(10)11/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide?
2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide has a molecular weight of 207.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 107168095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).