fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate

C22H15Cl2FO3 — CID 142540900

IUPACfluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate
SMILESCCC(=O)c1cc(-c2ccccc2Cl)c(C(=O)OF)cc1-c1ccccc1Cl
InChIInChI=1S/C22H15Cl2FO3/c1-2-21(26)17-11-16(14-8-4-6-10-20(14)24)18(22(27)28-25)12-15(17)13-7-3-5-9-19(13)23/h3-12H,2H2,1H3
InChIKeyODFFVHXQAZKQIB-UHFFFAOYSA-N
MW417.26 g/mol
LogP6.96
Rot. Bonds5

About fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate

fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate (PubChem CID 142540900) has the molecular formula C22H15Cl2FO3 and a molecular weight of 417.26 g/mol. Its IUPAC name is fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate.

Molecular Properties

Compound Namefluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate
PubChem CID142540900
Molecular FormulaC22H15Cl2FO3
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC Namefluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate
SMILESCCC(=O)c1cc(-c2ccccc2Cl)c(C(=O)OF)cc1-c1ccccc1Cl
InChIInChI=1S/C22H15Cl2FO3/c1-2-21(26)17-11-16(14-8-4-6-10-20(14)24)18(22(27)28-25)12-15(17)13-7-3-5-9-19(13)23/h3-12H,2H2,1H3
InChIKeyODFFVHXQAZKQIB-UHFFFAOYSA-N
XLogP6.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.26
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bms641
CID 22737393
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CID 9799442
4-(3-Chloro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-benzoic acid
CID 9907433
4-[4-(2,4-Dichlorobenzoyl)benzoyl]benzoic acid
CID 10069491
4-[4-(4-Chlorobenzoyl)benzoyl]benzoic acid
CID 10428890
4-[4-(2,4-Dichlorophenyl)benzoyl]benzoic acid
CID 11726674
methyl 4-[(E)-2-(3-chlorophenyl)ethenyl]-3-methylbenzoate
CID 44570943
4-[(E)-2-(3-Chloro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
CID 12112298
3-[1-(4-Chlorophenyl)-5-(4-methylphenyl)-1,5-dioxopentan-3-yl]benzoic acid
CID 19926515
1,1'-Biphenyl-4-carboxylic acid, 2'-chloro-, 1-methylethyl ester
CID 3068857
F 1893
CID 160722
2-Chlorobenzyl 2-benzoylbenzoate
CID 1178127

Frequently Asked Questions

What is the IUPAC name of fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate?
The IUPAC name of fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate (CID 142540900) is fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate.
What is the SMILES notation for fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate?
The canonical SMILES for fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate is CCC(=O)c1cc(-c2ccccc2Cl)c(C(=O)OF)cc1-c1ccccc1Cl.
What is the InChIKey of fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate?
The InChIKey is ODFFVHXQAZKQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FO3/c1-2-21(26)17-11-16(14-8-4-6-10-20(14)24)18(22(27)28-25)12-15(17)13-7-3-5-9-19(13)23/h3-12H,2H2,1H3.
What are the key properties of fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate?
fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate has a molecular weight of 417.26 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,5-bis(2-chlorophenyl)-4-propanoylbenzoate is sourced from PubChem (CID 142540900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).