2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide

C8H16FNO2 — CID 88936094

IUPAC2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
SMILESCOCC(C)(C)CNC(=O)CF
InChIInChI=1S/C8H16FNO2/c1-8(2,6-12-3)5-10-7(11)4-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyPDSIKKKDXCHJKO-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.74
Rot. Bonds5

About 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide

2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide (PubChem CID 88936094) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
PubChem CID88936094
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
SMILESCOCC(C)(C)CNC(=O)CF
InChIInChI=1S/C8H16FNO2/c1-8(2,6-12-3)5-10-7(11)4-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyPDSIKKKDXCHJKO-UHFFFAOYSA-N
XLogP0.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide (CID 88936094) is 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide is COCC(C)(C)CNC(=O)CF.
What is the InChIKey of 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
The InChIKey is PDSIKKKDXCHJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-8(2,6-12-3)5-10-7(11)4-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide has a molecular weight of 177.22 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 88936094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).