(2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate

C16H10Cl3FO2 — CID 3610173

IUPAC(2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H10Cl3FO2/c17-11-6-4-10(14(19)8-11)5-7-16(21)22-9-12-13(18)2-1-3-15(12)20/h1-8H,9H2
InChIKeyITGKTSOILFEVCY-UHFFFAOYSA-N
MW359.61 g/mol
LogP5.54
Rot. Bonds4

About (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate

(2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate (PubChem CID 3610173) has the molecular formula C16H10Cl3FO2 and a molecular weight of 359.61 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate
PubChem CID3610173
Molecular FormulaC16H10Cl3FO2
Molecular Weight359.61 g/mol
Exact Mass357.97
IUPAC Name(2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H10Cl3FO2/c17-11-6-4-10(14(19)8-11)5-7-16(21)22-9-12-13(18)2-1-3-15(12)20/h1-8H,9H2
InChIKeyITGKTSOILFEVCY-UHFFFAOYSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.61
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propyl 3-(2,4-dichlorophenyl)prop-2-enoate
CID 78907714
(3,4,5-trimethoxyphenyl)methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 9095597
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
CID 3878959
ethyl (E)-3-(4-chloro-2-fluorophenyl)prop-2-enoate
CID 11009728
(2,6-dimethylphenyl) 3-(2,4-dichlorophenyl)prop-2-enoate
CID 723876
[2-(4-chloroanilino)-2-oxoethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
CID 3493872
(2-chloro-6-fluorophenyl)methyl 3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
CID 3948692
(2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7867816
1-(2,4-dichlorophenyl)pent-1-en-3-one
CID 142778018
(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 3560338
2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 2421425
(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate (CID 3610173) is (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate is O=C(C=Cc1ccc(Cl)cc1Cl)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate?
The InChIKey is ITGKTSOILFEVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3FO2/c17-11-6-4-10(14(19)8-11)5-7-16(21)22-9-12-13(18)2-1-3-15(12)20/h1-8H,9H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate?
(2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate has a molecular weight of 359.61 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate is sourced from PubChem (CID 3610173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).