2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid

C10H17F2NO3 — CID 167170255

IUPAC2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NC(=O)C(C)(F)F)C(=O)O
InChIInChI=1S/C10H17F2NO3/c1-6(2)5-9(3,8(15)16)13-7(14)10(4,11)12/h6H,5H2,1-4H3,(H,13,14)(H,15,16)
InChIKeySLTYCPLQZVKLOP-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.65
Rot. Bonds5

About 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid

2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid (PubChem CID 167170255) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid
PubChem CID167170255
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NC(=O)C(C)(F)F)C(=O)O
InChIInChI=1S/C10H17F2NO3/c1-6(2)5-9(3,8(15)16)13-7(14)10(4,11)12/h6H,5H2,1-4H3,(H,13,14)(H,15,16)
InChIKeySLTYCPLQZVKLOP-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid (CID 167170255) is 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid is CC(C)CC(C)(NC(=O)C(C)(F)F)C(=O)O.
What is the InChIKey of 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid?
The InChIKey is SLTYCPLQZVKLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-6(2)5-9(3,8(15)16)13-7(14)10(4,11)12/h6H,5H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid?
2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropanoylamino)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 167170255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).