3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal

C9H17F2NO2 — CID 107486404

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO2/c1-9(2,7-14)6-12(3-4-13)5-8(10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyWHOZVFZJCCXLBP-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.77
Rot. Bonds7

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal (PubChem CID 107486404) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
PubChem CID107486404
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO2/c1-9(2,7-14)6-12(3-4-13)5-8(10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyWHOZVFZJCCXLBP-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.77
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

N-(2,2-difluoropropyl)-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 59440884
3-[Bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal
CID 87356990
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
CID 62276978
2,2-Dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanal
CID 62278314
N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 64591107
2,2-Dimethyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanal
CID 65531618
Methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate
CID 107480808
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
CID 107480865
Methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate
CID 107480899
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
CID 107480942
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]propanal
CID 107481167
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal
CID 107481282

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal (CID 107486404) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal is CC(C)(C=O)CN(CCO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
The InChIKey is WHOZVFZJCCXLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-9(2,7-14)6-12(3-4-13)5-8(10)11/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal has a molecular weight of 209.24 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 107486404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).