2-(1,1-difluoropropylamino)acetic acid

C5H9F2NO2 — CID 87094449

IUPAC2-(1,1-difluoropropylamino)acetic acid
SMILESCCC(F)(F)NCC(=O)O
InChIInChI=1S/C5H9F2NO2/c1-2-5(6,7)8-3-4(9)10/h8H,2-3H2,1H3,(H,9,10)
InChIKeyLVNZUOLYQJYFAY-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.66
Rot. Bonds4

About 2-(1,1-difluoropropylamino)acetic acid

2-(1,1-difluoropropylamino)acetic acid (PubChem CID 87094449) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 2-(1,1-difluoropropylamino)acetic acid.

Molecular Properties

Compound Name2-(1,1-difluoropropylamino)acetic acid
PubChem CID87094449
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name2-(1,1-difluoropropylamino)acetic acid
SMILESCCC(F)(F)NCC(=O)O
InChIInChI=1S/C5H9F2NO2/c1-2-5(6,7)8-3-4(9)10/h8H,2-3H2,1H3,(H,9,10)
InChIKeyLVNZUOLYQJYFAY-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropylamino)acetic acid?
The IUPAC name of 2-(1,1-difluoropropylamino)acetic acid (CID 87094449) is 2-(1,1-difluoropropylamino)acetic acid.
What is the SMILES notation for 2-(1,1-difluoropropylamino)acetic acid?
The canonical SMILES for 2-(1,1-difluoropropylamino)acetic acid is CCC(F)(F)NCC(=O)O.
What is the InChIKey of 2-(1,1-difluoropropylamino)acetic acid?
The InChIKey is LVNZUOLYQJYFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-2-5(6,7)8-3-4(9)10/h8H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-(1,1-difluoropropylamino)acetic acid?
2-(1,1-difluoropropylamino)acetic acid has a molecular weight of 153.13 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropylamino)acetic acid is sourced from PubChem (CID 87094449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).