4-(2,2,2-trifluoroethylamino)butanoic acid

C6H10F3NO2 — CID 43377948

IUPAC4-(2,2,2-trifluoroethylamino)butanoic acid
SMILESO=C(O)CCCNCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)4-10-3-1-2-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyUAXVCQQRVBRIBA-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.00
Rot. Bonds5

About 4-(2,2,2-trifluoroethylamino)butanoic acid

4-(2,2,2-trifluoroethylamino)butanoic acid (PubChem CID 43377948) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylamino)butanoic acid.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylamino)butanoic acid
PubChem CID43377948
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name4-(2,2,2-trifluoroethylamino)butanoic acid
SMILESO=C(O)CCCNCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)4-10-3-1-2-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyUAXVCQQRVBRIBA-UHFFFAOYSA-N
XLogP1.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.00
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 4-(2,2,2-trifluoroethylamino)butanoic acid?
The IUPAC name of 4-(2,2,2-trifluoroethylamino)butanoic acid (CID 43377948) is 4-(2,2,2-trifluoroethylamino)butanoic acid.
What is the SMILES notation for 4-(2,2,2-trifluoroethylamino)butanoic acid?
The canonical SMILES for 4-(2,2,2-trifluoroethylamino)butanoic acid is O=C(O)CCCNCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylamino)butanoic acid?
The InChIKey is UAXVCQQRVBRIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)4-10-3-1-2-5(11)12/h10H,1-4H2,(H,11,12).
What are the key properties of 4-(2,2,2-trifluoroethylamino)butanoic acid?
4-(2,2,2-trifluoroethylamino)butanoic acid has a molecular weight of 185.14 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylamino)butanoic acid is sourced from PubChem (CID 43377948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).