N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate

C8H13FNO3- — CID 59628500

IUPACN-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
SMILESC[C@H](/N=C(\[O-])OC(C)(C)C)C(=O)F
InChIInChI=1S/C8H14FNO3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H,10,12)/p-1/t5-/m0/s1
InChIKeySQNGSMRRZKRBOG-YFKPBYRVSA-M
MW190.19 g/mol
LogP0.40
Rot. Bonds2

About N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate

N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate (PubChem CID 59628500) has the molecular formula C8H13FNO3- and a molecular weight of 190.19 g/mol. Its IUPAC name is N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate.

Molecular Properties

Compound NameN-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
PubChem CID59628500
Molecular FormulaC8H13FNO3-
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC NameN-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
SMILESC[C@H](/N=C(\[O-])OC(C)(C)C)C(=O)F
InChIInChI=1S/C8H14FNO3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H,10,12)/p-1/t5-/m0/s1
InChIKeySQNGSMRRZKRBOG-YFKPBYRVSA-M
XLogP0.40
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

lithium N-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 101354915
N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 59283234
sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 101045889
tert-butyl 2-(methylideneamino)propanoate
CID 53443512
tert-butyl 2-fluoropropanoate
CID 91554233
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate
CID 75527807
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
CID 158638255
(3-fluoro-2-methylbutan-2-yl) acetate
CID 153406673
lithium N-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 101032578
[(2S,3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]azanium
CID 7009962

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The IUPAC name of N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate (CID 59628500) is N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate.
What is the SMILES notation for N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The canonical SMILES for N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate is C[C@H](/N=C(\[O-])OC(C)(C)C)C(=O)F.
What is the InChIKey of N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The InChIKey is SQNGSMRRZKRBOG-YFKPBYRVSA-M. The full InChI is InChI=1S/C8H14FNO3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H,10,12)/p-1/t5-/m0/s1.
What are the key properties of N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate has a molecular weight of 190.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate is sourced from PubChem (CID 59628500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).