2-(ethylamino)-5,5,5-trifluoropentanal

C7H12F3NO — CID 118473313

IUPAC2-(ethylamino)-5,5,5-trifluoropentanal
SMILESCCNC(C=O)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-11-6(5-12)3-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyPCFKUMUPUXBKMC-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.51
Rot. Bonds5

About 2-(ethylamino)-5,5,5-trifluoropentanal

2-(ethylamino)-5,5,5-trifluoropentanal (PubChem CID 118473313) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(ethylamino)-5,5,5-trifluoropentanal.

Molecular Properties

Compound Name2-(ethylamino)-5,5,5-trifluoropentanal
PubChem CID118473313
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-(ethylamino)-5,5,5-trifluoropentanal
SMILESCCNC(C=O)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-11-6(5-12)3-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyPCFKUMUPUXBKMC-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.51
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-(ethylamino)-5,5,5-trifluoropentanal?
The IUPAC name of 2-(ethylamino)-5,5,5-trifluoropentanal (CID 118473313) is 2-(ethylamino)-5,5,5-trifluoropentanal.
What is the SMILES notation for 2-(ethylamino)-5,5,5-trifluoropentanal?
The canonical SMILES for 2-(ethylamino)-5,5,5-trifluoropentanal is CCNC(C=O)CCC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-5,5,5-trifluoropentanal?
The InChIKey is PCFKUMUPUXBKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-11-6(5-12)3-4-7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 2-(ethylamino)-5,5,5-trifluoropentanal?
2-(ethylamino)-5,5,5-trifluoropentanal has a molecular weight of 183.17 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5,5,5-trifluoropentanal is sourced from PubChem (CID 118473313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).