2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one

C8H15F2NO — CID 54419200

IUPAC2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C(N)(CF)CF
InChIInChI=1S/C8H15F2NO/c1-7(2,3)6(12)8(11,4-9)5-10/h4-5,11H2,1-3H3
InChIKeyVZPKDNHGGNYKGC-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.24
Rot. Bonds3

About 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one

2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one (PubChem CID 54419200) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one
PubChem CID54419200
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C(N)(CF)CF
InChIInChI=1S/C8H15F2NO/c1-7(2,3)6(12)8(11,4-9)5-10/h4-5,11H2,1-3H3
InChIKeyVZPKDNHGGNYKGC-UHFFFAOYSA-N
XLogP1.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one (CID 54419200) is 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)C(N)(CF)CF.
What is the InChIKey of 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one?
The InChIKey is VZPKDNHGGNYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(2,3)6(12)8(11,4-9)5-10/h4-5,11H2,1-3H3.
What are the key properties of 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one?
2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one has a molecular weight of 179.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-fluoro-2-(fluoromethyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 54419200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).