(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate

C17H11Cl2F3O2 — CID 3560338

IUPAC(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESO=C(C=Cc1cccc(C(F)(F)F)c1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl2F3O2/c18-14-5-2-6-15(19)13(14)10-24-16(23)8-7-11-3-1-4-12(9-11)17(20,21)22/h1-9H,10H2
InChIKeyJFADZDOFTIVKLY-UHFFFAOYSA-N
MW375.17 g/mol
LogP5.77
Rot. Bonds4

About (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate

(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate (PubChem CID 3560338) has the molecular formula C17H11Cl2F3O2 and a molecular weight of 375.17 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
PubChem CID3560338
Molecular FormulaC17H11Cl2F3O2
Molecular Weight375.17 g/mol
Exact Mass374.01
IUPAC Name(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESO=C(C=Cc1cccc(C(F)(F)F)c1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl2F3O2/c18-14-5-2-6-15(19)13(14)10-24-16(23)8-7-11-3-1-4-12(9-11)17(20,21)22/h1-9H,10H2
InChIKeyJFADZDOFTIVKLY-UHFFFAOYSA-N
XLogP5.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.17
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate 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

[2-(2,3-dichloroanilino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 29141588
butyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 531643
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
(2,6-dichlorophenyl)methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2370953
(3-nitrophenyl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 35564482
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 7764744
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
[2-(ethylamino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2571383
[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 55730929
methyl 2-methyl-5-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]oxymethyl]furan-3-carboxylate
CID 7967729
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
(2-oxo-2-phenothiazin-10-ylethyl) 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5217629

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate (CID 3560338) is (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate is O=C(C=Cc1cccc(C(F)(F)F)c1)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The InChIKey is JFADZDOFTIVKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3O2/c18-14-5-2-6-15(19)13(14)10-24-16(23)8-7-11-3-1-4-12(9-11)17(20,21)22/h1-9H,10H2.
What are the key properties of (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate has a molecular weight of 375.17 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 3560338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).