2-(2,2-difluorobutanoylamino)acetic acid

C6H9F2NO3 — CID 88907342

IUPAC2-(2,2-difluorobutanoylamino)acetic acid
SMILESCCC(F)(F)C(=O)NCC(=O)O
InChIInChI=1S/C6H9F2NO3/c1-2-6(7,8)5(12)9-3-4(10)11/h2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyZPXYMCHUEQJVSW-UHFFFAOYSA-N
MW181.14 g/mol
LogP0.23
Rot. Bonds4

About 2-(2,2-difluorobutanoylamino)acetic acid

2-(2,2-difluorobutanoylamino)acetic acid (PubChem CID 88907342) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is 2-(2,2-difluorobutanoylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2-difluorobutanoylamino)acetic acid
PubChem CID88907342
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Name2-(2,2-difluorobutanoylamino)acetic acid
SMILESCCC(F)(F)C(=O)NCC(=O)O
InChIInChI=1S/C6H9F2NO3/c1-2-6(7,8)5(12)9-3-4(10)11/h2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyZPXYMCHUEQJVSW-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorobutanoylamino)acetic acid?
The IUPAC name of 2-(2,2-difluorobutanoylamino)acetic acid (CID 88907342) is 2-(2,2-difluorobutanoylamino)acetic acid.
What is the SMILES notation for 2-(2,2-difluorobutanoylamino)acetic acid?
The canonical SMILES for 2-(2,2-difluorobutanoylamino)acetic acid is CCC(F)(F)C(=O)NCC(=O)O.
What is the InChIKey of 2-(2,2-difluorobutanoylamino)acetic acid?
The InChIKey is ZPXYMCHUEQJVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO3/c1-2-6(7,8)5(12)9-3-4(10)11/h2-3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-(2,2-difluorobutanoylamino)acetic acid?
2-(2,2-difluorobutanoylamino)acetic acid has a molecular weight of 181.14 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorobutanoylamino)acetic acid is sourced from PubChem (CID 88907342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).