N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide

C8H15F3N2O3 — CID 166168365

IUPACN-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide
SMILESNCC(F)(F)COCC(F)CNC(=O)CO
InChIInChI=1S/C8H15F3N2O3/c9-6(1-13-7(15)2-14)3-16-5-8(10,11)4-12/h6,14H,1-5,12H2,(H,13,15)
InChIKeyDIYMGPUGQYQCIS-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.96
Rot. Bonds8

About N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide

N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide (PubChem CID 166168365) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide
PubChem CID166168365
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC NameN-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide
SMILESNCC(F)(F)COCC(F)CNC(=O)CO
InChIInChI=1S/C8H15F3N2O3/c9-6(1-13-7(15)2-14)3-16-5-8(10,11)4-12/h6,14H,1-5,12H2,(H,13,15)
InChIKeyDIYMGPUGQYQCIS-UHFFFAOYSA-N
XLogP-0.96
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide (CID 166168365) is N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide is NCC(F)(F)COCC(F)CNC(=O)CO.
What is the InChIKey of N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide?
The InChIKey is DIYMGPUGQYQCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c9-6(1-13-7(15)2-14)3-16-5-8(10,11)4-12/h6,14H,1-5,12H2,(H,13,15).
What are the key properties of N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide?
N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide has a molecular weight of 244.21 g/mol, XLogP of -0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-2,2-difluoropropoxy)-2-fluoropropyl]-2-hydroxyacetamide is sourced from PubChem (CID 166168365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).