3-fluoro-N,2,2-trimethylpropanamide

C6H12FNO — CID 166991700

IUPAC3-fluoro-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CF
InChIInChI=1S/C6H12FNO/c1-6(2,4-7)5(9)8-3/h4H2,1-3H3,(H,8,9)
InChIKeyYLLXWJRONLUKNP-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.73
Rot. Bonds2

About 3-fluoro-N,2,2-trimethylpropanamide

3-fluoro-N,2,2-trimethylpropanamide (PubChem CID 166991700) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-fluoro-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-fluoro-N,2,2-trimethylpropanamide
PubChem CID166991700
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-fluoro-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CF
InChIInChI=1S/C6H12FNO/c1-6(2,4-7)5(9)8-3/h4H2,1-3H3,(H,8,9)
InChIKeyYLLXWJRONLUKNP-UHFFFAOYSA-N
XLogP0.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,2,2-trimethylpropanamide?
The IUPAC name of 3-fluoro-N,2,2-trimethylpropanamide (CID 166991700) is 3-fluoro-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-fluoro-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-fluoro-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CF.
What is the InChIKey of 3-fluoro-N,2,2-trimethylpropanamide?
The InChIKey is YLLXWJRONLUKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(2,4-7)5(9)8-3/h4H2,1-3H3,(H,8,9).
What are the key properties of 3-fluoro-N,2,2-trimethylpropanamide?
3-fluoro-N,2,2-trimethylpropanamide has a molecular weight of 133.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,2,2-trimethylpropanamide is sourced from PubChem (CID 166991700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).