methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate

C11H10ClF3N2O2 — CID 10613749

IUPACmethyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate
SMILESCOC(=O)/C(=C/NNc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O2/c1-19-10(18)7(11(13,14)15)6-16-17-9-5-3-2-4-8(9)12/h2-6,16-17H,1H3/b7-6-
InChIKeyLJWKZFYUVFPIJV-SREVYHEPSA-N
MW294.66 g/mol
LogP2.88
Rot. Bonds4

About methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate

methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate (PubChem CID 10613749) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate
PubChem CID10613749
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Namemethyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate
SMILESCOC(=O)/C(=C/NNc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O2/c1-19-10(18)7(11(13,14)15)6-16-17-9-5-3-2-4-8(9)12/h2-6,16-17H,1H3/b7-6-
InChIKeyLJWKZFYUVFPIJV-SREVYHEPSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate
CID 139187799
ethyl (E)-3-[2-(2-chlorophenyl)hydrazinyl]-2-cyanoprop-2-enoate
CID 8811329
methyl 2-(2-chloroanilino)-2-methylpropanoate
CID 60990978
N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide
CID 102107601
methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate
CID 86760180
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
methyl 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868098
methyl 3-(3-chloro-2-methylanilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
CID 3315143
methyl 2-(2-chloro-N-(1,1,1-trifluoropropan-2-ylideneamino)anilino)-2-oxoacetate
CID 76653723
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909779
N'-(2-chlorophenyl)prop-2-ynehydrazide
CID 130670182

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate (CID 10613749) is methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate is COC(=O)/C(=C/NNc1ccccc1Cl)C(F)(F)F.
What is the InChIKey of methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate?
The InChIKey is LJWKZFYUVFPIJV-SREVYHEPSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c1-19-10(18)7(11(13,14)15)6-16-17-9-5-3-2-4-8(9)12/h2-6,16-17H,1H3/b7-6-.
What are the key properties of methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate?
methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate has a molecular weight of 294.66 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 10613749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).