[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate

C11H11F3N2O3 — CID 134121037

IUPAC[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate
SMILESCNC(=O)O/N=C(/c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O3/c1-15-10(17)19-16-9(11(12,13)14)7-3-5-8(18-2)6-4-7/h3-6H,1-2H3,(H,15,17)/b16-9-
InChIKeyCRNJKQNCJNIQHD-SXGWCWSVSA-N
MW276.21 g/mol
LogP2.32
Rot. Bonds3

About [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate

[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate (PubChem CID 134121037) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate.

Molecular Properties

Compound Name[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate
PubChem CID134121037
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate
SMILESCNC(=O)O/N=C(/c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O3/c1-15-10(17)19-16-9(11(12,13)14)7-3-5-8(18-2)6-4-7/h3-6H,1-2H3,(H,15,17)/b16-9-
InChIKeyCRNJKQNCJNIQHD-SXGWCWSVSA-N
XLogP2.32
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
CID 59115160
potassium (2S)-2-[[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino]propanoate
CID 102402408
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 19866956
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 53483171
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-one
CID 14024797
2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide
CID 71321698
[[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethylidene]amino] 4-methoxybenzenesulfonate
CID 175160846
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine
CID 177478664
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
CID 10353566
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate?
The IUPAC name of [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate (CID 134121037) is [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate.
What is the SMILES notation for [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate?
The canonical SMILES for [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate is CNC(=O)O/N=C(/c1ccc(OC)cc1)C(F)(F)F.
What is the InChIKey of [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate?
The InChIKey is CRNJKQNCJNIQHD-SXGWCWSVSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-15-10(17)19-16-9(11(12,13)14)7-3-5-8(18-2)6-4-7/h3-6H,1-2H3,(H,15,17)/b16-9-.
What are the key properties of [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate?
[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate has a molecular weight of 276.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate is sourced from PubChem (CID 134121037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).