3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal

C9H16F3NO — CID 62276978

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
SMILESCCN(CC(F)(F)F)CC(C)(C)C=O
InChIInChI=1S/C9H16F3NO/c1-4-13(6-9(10,11)12)5-8(2,3)7-14/h7H,4-6H2,1-3H3
InChIKeyNGLDTUVXNCFJHJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal

3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal (PubChem CID 62276978) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
PubChem CID62276978
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
SMILESCCN(CC(F)(F)F)CC(C)(C)C=O
InChIInChI=1S/C9H16F3NO/c1-4-13(6-9(10,11)12)5-8(2,3)7-14/h7H,4-6H2,1-3H3
InChIKeyNGLDTUVXNCFJHJ-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
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 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal (CID 62276978) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal is CCN(CC(F)(F)F)CC(C)(C)C=O.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
The InChIKey is NGLDTUVXNCFJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-13(6-9(10,11)12)5-8(2,3)7-14/h7H,4-6H2,1-3H3.
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal has a molecular weight of 211.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62276978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).