[3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

C24H23Cl2FO2 — CID 57088127

IUPAC[3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)OC1CC(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H23Cl2FO2/c1-24(2)19(13-21(25)26)22(24)23(28)29-20-12-15(17-5-3-4-6-18(17)20)11-14-7-9-16(27)10-8-14/h3-10,13,15,19-20,22H,11-12H2,1-2H3
InChIKeyMKTJRVZFCJSASY-UHFFFAOYSA-N
MW433.35 g/mol
LogP6.73
Rot. Bonds5

About [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

[3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 57088127) has the molecular formula C24H23Cl2FO2 and a molecular weight of 433.35 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID57088127
Molecular FormulaC24H23Cl2FO2
Molecular Weight433.35 g/mol
Exact Mass432.11
IUPAC Name[3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)OC1CC(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H23Cl2FO2/c1-24(2)19(13-21(25)26)22(24)23(28)29-20-12-15(17-5-3-4-6-18(17)20)11-14-7-9-16(27)10-8-14/h3-10,13,15,19-20,22H,11-12H2,1-2H3
InChIKeyMKTJRVZFCJSASY-UHFFFAOYSA-N
XLogP6.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 57088127) is [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is CC1(C)C(C=C(Cl)Cl)C1C(=O)OC1CC(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is MKTJRVZFCJSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2FO2/c1-24(2)19(13-21(25)26)22(24)23(28)29-20-12-15(17-5-3-4-6-18(17)20)11-14-7-9-16(27)10-8-14/h3-10,13,15,19-20,22H,11-12H2,1-2H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
[3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 433.35 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 57088127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).