2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal

C11H21F2NO2 — CID 107486395

IUPAC2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CCO)CC(F)F
InChIInChI=1S/C11H21F2NO2/c1-3-4-11(2,9-16)8-14(5-6-15)7-10(12)13/h9-10,15H,3-8H2,1-2H3
InChIKeyFEUNLADNPIBEQC-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.55
Rot. Bonds9

About 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal

2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal (PubChem CID 107486395) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal
PubChem CID107486395
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CCO)CC(F)F
InChIInChI=1S/C11H21F2NO2/c1-3-4-11(2,9-16)8-14(5-6-15)7-10(12)13/h9-10,15H,3-8H2,1-2H3
InChIKeyFEUNLADNPIBEQC-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal
CID 62277192
2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal
CID 102997025
2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486587
2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
CID 107494999
2-methyl-2-propylpentanal
CID 12587446
2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486683
2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal
CID 62278096
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 107483272
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 107485089
1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103864968

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal?
The IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal (CID 107486395) is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal.
What is the SMILES notation for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal?
The canonical SMILES for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal is CCCC(C)(C=O)CN(CCO)CC(F)F.
What is the InChIKey of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal?
The InChIKey is FEUNLADNPIBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-3-4-11(2,9-16)8-14(5-6-15)7-10(12)13/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal?
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal has a molecular weight of 237.29 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal is sourced from PubChem (CID 107486395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).