(E)-3-amino-5,5,5-trifluoropent-2-enoic acid

C5H6F3NO2 — CID 87795734

IUPAC(E)-3-amino-5,5,5-trifluoropent-2-enoic acid
SMILESN/C(=C/C(=O)O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)2-3(9)1-4(10)11/h1H,2,9H2,(H,10,11)/b3-1+
InChIKeyLATSYSBMCGKTPQ-HNQUOIGGSA-N
MW169.10 g/mol
LogP0.87
Rot. Bonds2

About (E)-3-amino-5,5,5-trifluoropent-2-enoic acid

(E)-3-amino-5,5,5-trifluoropent-2-enoic acid (PubChem CID 87795734) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is (E)-3-amino-5,5,5-trifluoropent-2-enoic acid.

Molecular Properties

Compound Name(E)-3-amino-5,5,5-trifluoropent-2-enoic acid
PubChem CID87795734
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name(E)-3-amino-5,5,5-trifluoropent-2-enoic acid
SMILESN/C(=C/C(=O)O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)2-3(9)1-4(10)11/h1H,2,9H2,(H,10,11)/b3-1+
InChIKeyLATSYSBMCGKTPQ-HNQUOIGGSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-5,5,5-trifluoropent-2-enoic acid?
The IUPAC name of (E)-3-amino-5,5,5-trifluoropent-2-enoic acid (CID 87795734) is (E)-3-amino-5,5,5-trifluoropent-2-enoic acid.
What is the SMILES notation for (E)-3-amino-5,5,5-trifluoropent-2-enoic acid?
The canonical SMILES for (E)-3-amino-5,5,5-trifluoropent-2-enoic acid is N/C(=C/C(=O)O)CC(F)(F)F.
What is the InChIKey of (E)-3-amino-5,5,5-trifluoropent-2-enoic acid?
The InChIKey is LATSYSBMCGKTPQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)2-3(9)1-4(10)11/h1H,2,9H2,(H,10,11)/b3-1+.
What are the key properties of (E)-3-amino-5,5,5-trifluoropent-2-enoic acid?
(E)-3-amino-5,5,5-trifluoropent-2-enoic acid has a molecular weight of 169.10 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-5,5,5-trifluoropent-2-enoic acid is sourced from PubChem (CID 87795734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).