2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide

C9H15F2NO2 — CID 167208620

IUPAC2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide
SMILESCC(C)(C)C(F)(F)C(=O)NC1COC1
InChIInChI=1S/C9H15F2NO2/c1-8(2,3)9(10,11)7(13)12-6-4-14-5-6/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyWUPJTCZSJMRDSS-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.18
Rot. Bonds2

About 2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide

2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide (PubChem CID 167208620) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide.

Molecular Properties

Compound Name2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide
PubChem CID167208620
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide
SMILESCC(C)(C)C(F)(F)C(=O)NC1COC1
InChIInChI=1S/C9H15F2NO2/c1-8(2,3)9(10,11)7(13)12-6-4-14-5-6/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyWUPJTCZSJMRDSS-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-3,3-dimethyl-N-(oxetan-3-yl)butanamide?
The IUPAC name of 2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide (CID 167208620) is 2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide.
What is the SMILES notation for 2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide?
The canonical SMILES for 2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide is CC(C)(C)C(F)(F)C(=O)NC1COC1.
What is the InChIKey of 2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide?
The InChIKey is WUPJTCZSJMRDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-8(2,3)9(10,11)7(13)12-6-4-14-5-6/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide?
2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide has a molecular weight of 207.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide is sourced from PubChem (CID 167208620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).