2-amino-5,5,5-trifluoropentanal

C5H8F3NO — CID 89011562

IUPAC2-amino-5,5,5-trifluoropentanal
SMILESNC(C=O)CCC(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)2-1-4(9)3-10/h3-4H,1-2,9H2
InChIKeyGIIWYBORPQSZRO-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.86
Rot. Bonds3

About 2-amino-5,5,5-trifluoropentanal

2-amino-5,5,5-trifluoropentanal (PubChem CID 89011562) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 2-amino-5,5,5-trifluoropentanal.

Molecular Properties

Compound Name2-amino-5,5,5-trifluoropentanal
PubChem CID89011562
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name2-amino-5,5,5-trifluoropentanal
SMILESNC(C=O)CCC(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)2-1-4(9)3-10/h3-4H,1-2,9H2
InChIKeyGIIWYBORPQSZRO-UHFFFAOYSA-N
XLogP0.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5,5-trifluoropentanal?
The IUPAC name of 2-amino-5,5,5-trifluoropentanal (CID 89011562) is 2-amino-5,5,5-trifluoropentanal.
What is the SMILES notation for 2-amino-5,5,5-trifluoropentanal?
The canonical SMILES for 2-amino-5,5,5-trifluoropentanal is NC(C=O)CCC(F)(F)F.
What is the InChIKey of 2-amino-5,5,5-trifluoropentanal?
The InChIKey is GIIWYBORPQSZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)2-1-4(9)3-10/h3-4H,1-2,9H2.
What are the key properties of 2-amino-5,5,5-trifluoropentanal?
2-amino-5,5,5-trifluoropentanal has a molecular weight of 155.12 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5,5-trifluoropentanal is sourced from PubChem (CID 89011562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).