[3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite

C8H16FNO2 — CID 157032145

IUPAC[3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite
SMILESCC(COF)C(=O)NC(C)(C)C
InChIInChI=1S/C8H16FNO2/c1-6(5-12-9)7(11)10-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKeyOCPWNJSZGOSTHO-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.44
Rot. Bonds3

About [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite

[3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite (PubChem CID 157032145) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite.

Molecular Properties

Compound Name[3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite
PubChem CID157032145
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name[3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite
SMILESCC(COF)C(=O)NC(C)(C)C
InChIInChI=1S/C8H16FNO2/c1-6(5-12-9)7(11)10-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKeyOCPWNJSZGOSTHO-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite?
The IUPAC name of [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite (CID 157032145) is [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite.
What is the SMILES notation for [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite?
The canonical SMILES for [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite is CC(COF)C(=O)NC(C)(C)C.
What is the InChIKey of [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite?
The InChIKey is OCPWNJSZGOSTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-6(5-12-9)7(11)10-8(2,3)4/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite?
[3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite has a molecular weight of 177.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite is sourced from PubChem (CID 157032145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).