[2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite

C9H17F2NO4 — CID 144703638

IUPAC[2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite
SMILESCC(C)(C)C(=O)NC(CO)(COF)COF
InChIInChI=1S/C9H17F2NO4/c1-8(2,3)7(14)12-9(4-13,5-15-10)6-16-11/h13H,4-6H2,1-3H3,(H,12,14)
InChIKeyPFEUMLJLNKIJLT-UHFFFAOYSA-N
MW241.23 g/mol
LogP0.68
Rot. Bonds6

About [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite

[2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite (PubChem CID 144703638) has the molecular formula C9H17F2NO4 and a molecular weight of 241.23 g/mol. Its IUPAC name is [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite.

Molecular Properties

Compound Name[2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite
PubChem CID144703638
Molecular FormulaC9H17F2NO4
Molecular Weight241.23 g/mol
Exact Mass241.11
IUPAC Name[2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite
SMILESCC(C)(C)C(=O)NC(CO)(COF)COF
InChIInChI=1S/C9H17F2NO4/c1-8(2,3)7(14)12-9(4-13,5-15-10)6-16-11/h13H,4-6H2,1-3H3,(H,12,14)
InChIKeyPFEUMLJLNKIJLT-UHFFFAOYSA-N
XLogP0.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)acetamide
CID 285324
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CID 3089776
3,3,3-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500979
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81964281
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide
CID 81964436
N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4,4-trifluorobutanamide
CID 81964715
3-(2,2-difluoroethoxy)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide
CID 103209153
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310222
3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 103890802
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107846714
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide
CID 107846744
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4,4-trifluorobutanamide
CID 107846904

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite?
The IUPAC name of [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite (CID 144703638) is [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite.
What is the SMILES notation for [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite?
The canonical SMILES for [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite is CC(C)(C)C(=O)NC(CO)(COF)COF.
What is the InChIKey of [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite?
The InChIKey is PFEUMLJLNKIJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO4/c1-8(2,3)7(14)12-9(4-13,5-15-10)6-16-11/h13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite?
[2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite has a molecular weight of 241.23 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite is sourced from PubChem (CID 144703638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).