5,5-difluoro-2-imino-4,4-dimethylpentanoic acid

C7H11F2NO2 — CID 162616599

IUPAC5,5-difluoro-2-imino-4,4-dimethylpentanoic acid
SMILES[H]/N=C(/CC(C)(C)C(F)F)C(=O)O
InChIInChI=1S/C7H11F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h6,10H,3H2,1-2H3,(H,11,12)/b10-4-
InChIKeyVHGNJQLWEWTBOS-WMZJFQQLSA-N
MW179.17 g/mol
LogP1.77
Rot. Bonds4

About 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid

5,5-difluoro-2-imino-4,4-dimethylpentanoic acid (PubChem CID 162616599) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name5,5-difluoro-2-imino-4,4-dimethylpentanoic acid
PubChem CID162616599
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name5,5-difluoro-2-imino-4,4-dimethylpentanoic acid
SMILES[H]/N=C(/CC(C)(C)C(F)F)C(=O)O
InChIInChI=1S/C7H11F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h6,10H,3H2,1-2H3,(H,11,12)/b10-4-
InChIKeyVHGNJQLWEWTBOS-WMZJFQQLSA-N
XLogP1.77
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid?
The IUPAC name of 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid (CID 162616599) is 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid.
What is the SMILES notation for 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid?
The canonical SMILES for 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid is [H]/N=C(/CC(C)(C)C(F)F)C(=O)O.
What is the InChIKey of 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid?
The InChIKey is VHGNJQLWEWTBOS-WMZJFQQLSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h6,10H,3H2,1-2H3,(H,11,12)/b10-4-.
What are the key properties of 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid?
5,5-difluoro-2-imino-4,4-dimethylpentanoic acid has a molecular weight of 179.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-imino-4,4-dimethylpentanoic acid is sourced from PubChem (CID 162616599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).