N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide

C8H16F2N2O3 — CID 166169064

IUPACN-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide
SMILESNCCCOCC(F)(F)CNC(=O)CO
InChIInChI=1S/C8H16F2N2O3/c9-8(10,5-12-7(14)4-13)6-15-3-1-2-11/h13H,1-6,11H2,(H,12,14)
InChIKeyMWISBOIGFBEHJQ-UHFFFAOYSA-N
MW226.22 g/mol
LogP-0.90
Rot. Bonds8

About N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide

N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide (PubChem CID 166169064) has the molecular formula C8H16F2N2O3 and a molecular weight of 226.22 g/mol. Its IUPAC name is N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide
PubChem CID166169064
Molecular FormulaC8H16F2N2O3
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC NameN-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide
SMILESNCCCOCC(F)(F)CNC(=O)CO
InChIInChI=1S/C8H16F2N2O3/c9-8(10,5-12-7(14)4-13)6-15-3-1-2-11/h13H,1-6,11H2,(H,12,14)
InChIKeyMWISBOIGFBEHJQ-UHFFFAOYSA-N
XLogP-0.90
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminobutoxy)ethyl]-2-hydroxyacetamide;ethane
CID 176551845
N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide
CID 166168365
7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
CID 122081032
2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
CID 123586963
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954
3-(3-aminopropoxy)-N-ethylpropanamide
CID 62344045
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
N-[3-(3-amino-2-fluoropropoxy)propyl]-2-hydroxyacetamide
CID 166168910
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090
7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide
CID 119737403

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide (CID 166169064) is N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide is NCCCOCC(F)(F)CNC(=O)CO.
What is the InChIKey of N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide?
The InChIKey is MWISBOIGFBEHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O3/c9-8(10,5-12-7(14)4-13)6-15-3-1-2-11/h13H,1-6,11H2,(H,12,14).
What are the key properties of N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide?
N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide has a molecular weight of 226.22 g/mol, XLogP of -0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropoxy)-2,2-difluoropropyl]-2-hydroxyacetamide is sourced from PubChem (CID 166169064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).