1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid

C10H15F2NO4 — CID 178065202

IUPAC1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
SMILESCC(F)(F)CNC(=O)C1(C(=O)O)CC(C)(O)C1
InChIInChI=1S/C10H15F2NO4/c1-8(17)3-10(4-8,7(15)16)6(14)13-5-9(2,11)12/h17H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVPBPXFKIHKABTC-UHFFFAOYSA-N
MW251.23 g/mol
LogP0.37
Rot. Bonds4

About 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid

1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid (PubChem CID 178065202) has the molecular formula C10H15F2NO4 and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
PubChem CID178065202
Molecular FormulaC10H15F2NO4
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
SMILESCC(F)(F)CNC(=O)C1(C(=O)O)CC(C)(O)C1
InChIInChI=1S/C10H15F2NO4/c1-8(17)3-10(4-8,7(15)16)6(14)13-5-9(2,11)12/h17H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVPBPXFKIHKABTC-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid (CID 178065202) is 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid is CC(F)(F)CNC(=O)C1(C(=O)O)CC(C)(O)C1.
What is the InChIKey of 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid?
The InChIKey is VPBPXFKIHKABTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO4/c1-8(17)3-10(4-8,7(15)16)6(14)13-5-9(2,11)12/h17H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid?
1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid has a molecular weight of 251.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropylcarbamoyl)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 178065202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).