[2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate

C4H6FNO4 — CID 177282568

IUPAC[2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate
SMILESCC(F)(OC=O)C(=O)NO
InChIInChI=1S/C4H6FNO4/c1-4(5,10-2-7)3(8)6-9/h2,9H,1H3,(H,6,8)
InChIKeyORAJNSGUUUANQO-UHFFFAOYSA-N
MW151.09 g/mol
LogP-0.65
Rot. Bonds3

About [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate

[2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate (PubChem CID 177282568) has the molecular formula C4H6FNO4 and a molecular weight of 151.09 g/mol. Its IUPAC name is [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate.

Molecular Properties

Compound Name[2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate
PubChem CID177282568
Molecular FormulaC4H6FNO4
Molecular Weight151.09 g/mol
Exact Mass151.03
IUPAC Name[2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate
SMILESCC(F)(OC=O)C(=O)NO
InChIInChI=1S/C4H6FNO4/c1-4(5,10-2-7)3(8)6-9/h2,9H,1H3,(H,6,8)
InChIKeyORAJNSGUUUANQO-UHFFFAOYSA-N
XLogP-0.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-hydroxypropanamide
CID 130495228
methyl 3-formyloxy-3-methylbutanoate
CID 22368434
[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] formate
CID 89451216
tert-butyl formate;ethane
CID 175326717
tert-butyl formate;methyl 3-(methylamino)propanoate
CID 178136368
(1,1,1-trifluoro-2-methylbutan-2-yl) formate
CID 162773826
4,4,4-trifluoro-N,3-dihydroxy-2,3-dimethyl-2-propan-2-ylbutanamide
CID 134308779
2,2-difluoropropane;formic acid
CID 160803691
[2-methyl-5-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl formate
CID 142404780
(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl) formate
CID 175191591
tert-butyl formate;1,2-dimethoxyethane
CID 174865662
methyl (E)-2-methyl-3-(trifluoromethoxy)prop-2-enoate
CID 89069178

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate?
The IUPAC name of [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate (CID 177282568) is [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate.
What is the SMILES notation for [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate?
The canonical SMILES for [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate is CC(F)(OC=O)C(=O)NO.
What is the InChIKey of [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate?
The InChIKey is ORAJNSGUUUANQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO4/c1-4(5,10-2-7)3(8)6-9/h2,9H,1H3,(H,6,8).
What are the key properties of [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate?
[2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate has a molecular weight of 151.09 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1-(hydroxyamino)-1-oxopropan-2-yl] formate is sourced from PubChem (CID 177282568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).