[(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate

C8H10Cl3NO3 — CID 10540315

IUPAC[(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate
SMILES[H]/N=C(\OC/C=C\COC(C)=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10Cl3NO3/c1-6(13)14-4-2-3-5-15-7(12)8(9,10)11/h2-3,12H,4-5H2,1H3/b3-2-,12-7-
InChIKeyLREWEVVBUGQBKB-KVQNYADJSA-N
MW274.53 g/mol
LogP2.47
Rot. Bonds4

About [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate

[(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate (PubChem CID 10540315) has the molecular formula C8H10Cl3NO3 and a molecular weight of 274.53 g/mol. Its IUPAC name is [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate
PubChem CID10540315
Molecular FormulaC8H10Cl3NO3
Molecular Weight274.53 g/mol
Exact Mass272.97
IUPAC Name[(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate
SMILES[H]/N=C(\OC/C=C\COC(C)=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10Cl3NO3/c1-6(13)14-4-2-3-5-15-7(12)8(9,10)11/h2-3,12H,4-5H2,1H3/b3-2-,12-7-
InChIKeyLREWEVVBUGQBKB-KVQNYADJSA-N
XLogP2.47
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.53
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-2-Butenyl trichloroacetimidate
CID 10878581
[(E)-6-(2,2,2-trichloroethanimidoyl)oxyhex-4-enyl] acetate
CID 11392491
[(Z)-5-(2,2,2-trichloroethanimidoyl)oxypent-3-enyl] acetate
CID 134963366
But-2-enyl 2,2,2-trichloroethanimidate
CID 53871141
Ethyl 6-(2,2,2-trichloroethanimidoyl)oxyhex-4-enoate
CID 85386423
ethyl (Z)-6-(2,2,2-trichloroethanimidoyl)oxyhex-4-enoate
CID 11066620
methyl (E)-6-(2,2,2-trichloroethanimidoyl)oxyhex-4-enoate
CID 11254756
[(E)-2-methyl-5-(2,2,2-trichloroethanimidoyl)oxypent-3-en-2-yl] acetate
CID 44623018
[(Z)-2-methyl-5-(2,2,2-trichloroethanimidoyl)oxypent-3-en-2-yl] acetate
CID 44623725
[(E)-4-prop-2-enoxybut-2-enyl] 2,2,2-trichloroethanimidate
CID 46868693
4-[(2,2,2-Trichloroethanimidoyl)oxy]but-2-en-1-yl acetate
CID 71348180
[(Z)-but-2-enyl] 2,2,2-trichloroethanimidate
CID 101402037

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate?
The IUPAC name of [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate (CID 10540315) is [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate.
What is the SMILES notation for [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate?
The canonical SMILES for [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate is [H]/N=C(\OC/C=C\COC(C)=O)C(Cl)(Cl)Cl.
What is the InChIKey of [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate?
The InChIKey is LREWEVVBUGQBKB-KVQNYADJSA-N. The full InChI is InChI=1S/C8H10Cl3NO3/c1-6(13)14-4-2-3-5-15-7(12)8(9,10)11/h2-3,12H,4-5H2,1H3/b3-2-,12-7-.
What are the key properties of [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate?
[(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate has a molecular weight of 274.53 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(2,2,2-trichloroethanimidoyl)oxybut-2-enyl] acetate is sourced from PubChem (CID 10540315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).