N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde

C8H16F3NO — CID 87553443

IUPACN,N-diethylethanamine;2,2,2-trifluoroacetaldehyde
SMILESCCN(CC)CC.O=CC(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O/c1-4-7(5-2)6-3;3-2(4,5)1-6/h4-6H2,1-3H3;1H
InChIKeyWQKACZAYMNAMLU-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.10
Rot. Bonds3

About N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde

N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde (PubChem CID 87553443) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound NameN,N-diethylethanamine;2,2,2-trifluoroacetaldehyde
PubChem CID87553443
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN,N-diethylethanamine;2,2,2-trifluoroacetaldehyde
SMILESCCN(CC)CC.O=CC(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O/c1-4-7(5-2)6-3;3-2(4,5)1-6/h4-6H2,1-3H3;1H
InChIKeyWQKACZAYMNAMLU-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
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 N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde?
The IUPAC name of N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde (CID 87553443) is N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde is CCN(CC)CC.O=CC(F)(F)F.
What is the InChIKey of N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde?
The InChIKey is WQKACZAYMNAMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF3O/c1-4-7(5-2)6-3;3-2(4,5)1-6/h4-6H2,1-3H3;1H.
What are the key properties of N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde?
N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde has a molecular weight of 199.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 87553443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).