2-(3,3,3-trifluoropropylamino)acetic acid

C5H8F3NO2 — CID 63227162

IUPAC2-(3,3,3-trifluoropropylamino)acetic acid
SMILESO=C(O)CNCCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)1-2-9-3-4(10)11/h9H,1-3H2,(H,10,11)
InChIKeyKCQRFKWRWFPJPB-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.61
Rot. Bonds4

About 2-(3,3,3-trifluoropropylamino)acetic acid

2-(3,3,3-trifluoropropylamino)acetic acid (PubChem CID 63227162) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylamino)acetic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylamino)acetic acid
PubChem CID63227162
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2-(3,3,3-trifluoropropylamino)acetic acid
SMILESO=C(O)CNCCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)1-2-9-3-4(10)11/h9H,1-3H2,(H,10,11)
InChIKeyKCQRFKWRWFPJPB-UHFFFAOYSA-N
XLogP0.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylamino)acetic acid?
The IUPAC name of 2-(3,3,3-trifluoropropylamino)acetic acid (CID 63227162) is 2-(3,3,3-trifluoropropylamino)acetic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropylamino)acetic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropylamino)acetic acid is O=C(O)CNCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylamino)acetic acid?
The InChIKey is KCQRFKWRWFPJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)1-2-9-3-4(10)11/h9H,1-3H2,(H,10,11).
What are the key properties of 2-(3,3,3-trifluoropropylamino)acetic acid?
2-(3,3,3-trifluoropropylamino)acetic acid has a molecular weight of 171.12 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylamino)acetic acid is sourced from PubChem (CID 63227162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).