2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal

C11H20F3NO — CID 62276980

IUPAC2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal
SMILESCCN(CC(F)(F)F)CC(C=O)(CC)CC
InChIInChI=1S/C11H20F3NO/c1-4-10(5-2,9-16)7-15(6-3)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyTVZKCTQQXJVDMB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds7

About 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal

2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal (PubChem CID 62276980) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal.

Molecular Properties

Compound Name2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal
PubChem CID62276980
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal
SMILESCCN(CC(F)(F)F)CC(C=O)(CC)CC
InChIInChI=1S/C11H20F3NO/c1-4-10(5-2,9-16)7-15(6-3)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyTVZKCTQQXJVDMB-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3,3-Difluorobutyl(ethyl)amino]-2,2-dimethylpropanal
CID 143181550
2-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 55050926
2-Ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butanal
CID 55141553
2-Methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal
CID 62275827
1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276021
2-Methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62276023
2-Ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62276207
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal
CID 62276407
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62276598
2-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62276599
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal
CID 62276789
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276977

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal?
The IUPAC name of 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal (CID 62276980) is 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal.
What is the SMILES notation for 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal?
The canonical SMILES for 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal is CCN(CC(F)(F)F)CC(C=O)(CC)CC.
What is the InChIKey of 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal?
The InChIKey is TVZKCTQQXJVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-10(5-2,9-16)7-15(6-3)8-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal?
2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal has a molecular weight of 239.28 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal is sourced from PubChem (CID 62276980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).