2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal

C12H20F3NO — CID 62277561

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H20F3NO/c1-3-11(4-2,9-17)7-16(10-5-6-10)8-12(13,14)15/h9-10H,3-8H2,1-2H3
InChIKeyAGBCOSJOTQSXFA-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds7

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal (PubChem CID 62277561) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal
PubChem CID62277561
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H20F3NO/c1-3-11(4-2,9-17)7-16(10-5-6-10)8-12(13,14)15/h9-10H,3-8H2,1-2H3
InChIKeyAGBCOSJOTQSXFA-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
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 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal (CID 62277561) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal is CCC(C=O)(CC)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal?
The InChIKey is AGBCOSJOTQSXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-3-11(4-2,9-17)7-16(10-5-6-10)8-12(13,14)15/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal has a molecular weight of 251.29 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-ethylbutanal is sourced from PubChem (CID 62277561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).