methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate

C7H11FN2O4 — CID 139788946

IUPACmethyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate
SMILES[H]/N=C(OCC)/C(=N/OCF)C(=O)OC
InChIInChI=1S/C7H11FN2O4/c1-3-13-6(9)5(7(11)12-2)10-14-4-8/h9H,3-4H2,1-2H3/b9-6-,10-5-
InChIKeyVXQKQFIPOUJKFW-YXSNPGODSA-N
MW206.17 g/mol
LogP0.47
Rot. Bonds5

About methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate

methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate (PubChem CID 139788946) has the molecular formula C7H11FN2O4 and a molecular weight of 206.17 g/mol. Its IUPAC name is methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate.

Molecular Properties

Compound Namemethyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate
PubChem CID139788946
Molecular FormulaC7H11FN2O4
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Namemethyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate
SMILES[H]/N=C(OCC)/C(=N/OCF)C(=O)OC
InChIInChI=1S/C7H11FN2O4/c1-3-13-6(9)5(7(11)12-2)10-14-4-8/h9H,3-4H2,1-2H3/b9-6-,10-5-
InChIKeyVXQKQFIPOUJKFW-YXSNPGODSA-N
XLogP0.47
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z)-3-amino-2-(fluoromethoxyimino)-3-iminopropanoate;hydrochloride
CID 139788943
methyl 2-(2,2-difluoroethoxyimino)-3-imino-3-methoxypropanoate
CID 54110744
dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate
CID 23239497
methyl 3-amino-2-(2,2-difluoroethoxyimino)-3-oxopropanoate
CID 54242771
methyl (2Z)-2-ethoxyiminobutanoate
CID 20717769
ethyl 2-(methylamino)-2-methyliminoethanimidate
CID 177040509
ethyl 2-amino-2-iminoacetate
CID 19017716
ethyl 2-methoxybut-2-enoate
CID 141457807
ethyl 2-imino-3,3-dimethylbutanoate
CID 134381367
ethyl (2E)-3-amino-2-methoxyimino-3-oxopropanoate
CID 14075610
1-O-ethyl 3-O-methyl 2-oxopropanedioate
CID 547672
CID 175796855
CID 175796855

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate?
The IUPAC name of methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate (CID 139788946) is methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate.
What is the SMILES notation for methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate?
The canonical SMILES for methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate is [H]/N=C(OCC)/C(=N/OCF)C(=O)OC.
What is the InChIKey of methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate?
The InChIKey is VXQKQFIPOUJKFW-YXSNPGODSA-N. The full InChI is InChI=1S/C7H11FN2O4/c1-3-13-6(9)5(7(11)12-2)10-14-4-8/h9H,3-4H2,1-2H3/b9-6-,10-5-.
What are the key properties of methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate?
methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate has a molecular weight of 206.17 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-3-ethoxy-2-(fluoromethoxyimino)-3-iminopropanoate is sourced from PubChem (CID 139788946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).