ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate

C11H10ClF3N2O2 — CID 2761310

IUPACethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N2O2/c1-2-19-10(18)9(12)17-16-8-5-3-4-7(6-8)11(13,14)15/h3-6,16H,2H2,1H3
InChIKeyHXRVSIPGGUOVJA-UHFFFAOYSA-N
MW294.66 g/mol
LogP3.23
Rot. Bonds4

About ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate

ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate (PubChem CID 2761310) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
PubChem CID2761310
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Nameethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N2O2/c1-2-19-10(18)9(12)17-16-8-5-3-4-7(6-8)11(13,14)15/h3-6,16H,2H2,1H3
InChIKeyHXRVSIPGGUOVJA-UHFFFAOYSA-N
XLogP3.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-pyrrolidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2309713
ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 4246663
ethyl 2-morpholin-4-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2308619
ethyl (2Z)-2-(2,6-dimethylpiperidin-1-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 6517199
ethyl 2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 4152689
ethyl 2-(2-ethylpiperidin-1-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 4101146
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2316158
ethyl 2-chloro-2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]acetate
CID 75076919
ethyl (E)-2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate
CID 2150064
ethyl (2E)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetate
CID 6264442
ethyl (1R,2R,3R)-2-(hydrazinecarbonyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 7202571
ethyl (1R,2R,3S)-2-(hydrazinecarbonyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 7202573

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The IUPAC name of ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate (CID 2761310) is ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate is CCOC(=O)C(Cl)=NNc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The InChIKey is HXRVSIPGGUOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c1-2-19-10(18)9(12)17-16-8-5-3-4-7(6-8)11(13,14)15/h3-6,16H,2H2,1H3.
What are the key properties of ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate has a molecular weight of 294.66 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate is sourced from PubChem (CID 2761310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).