[2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite

C8H15F3N2O3 — CID 145401212

IUPAC[2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite
SMILESNCC(F)(F)COCCCNC(=O)COF
InChIInChI=1S/C8H15F3N2O3/c9-8(10,5-12)6-15-3-1-2-13-7(14)4-16-11/h1-6,12H2,(H,13,14)
InChIKeyIYLZJVMESSABTF-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.00
Rot. Bonds9

About [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite

[2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite (PubChem CID 145401212) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite.

Molecular Properties

Compound Name[2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite
PubChem CID145401212
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name[2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite
SMILESNCC(F)(F)COCCCNC(=O)COF
InChIInChI=1S/C8H15F3N2O3/c9-8(10,5-12)6-15-3-1-2-13-7(14)4-16-11/h1-6,12H2,(H,13,14)
InChIKeyIYLZJVMESSABTF-UHFFFAOYSA-N
XLogP0.00
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite?
The IUPAC name of [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite (CID 145401212) is [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite.
What is the SMILES notation for [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite?
The canonical SMILES for [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite is NCC(F)(F)COCCCNC(=O)COF.
What is the InChIKey of [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite?
The InChIKey is IYLZJVMESSABTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c9-8(10,5-12)6-15-3-1-2-13-7(14)4-16-11/h1-6,12H2,(H,13,14).
What are the key properties of [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite?
[2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite has a molecular weight of 244.21 g/mol, XLogP of 0.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-amino-2,2-difluoropropoxy)propylamino]-2-oxoethyl] hypofluorite is sourced from PubChem (CID 145401212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).