5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene

C21H27Cl2F3 — CID 140968333

IUPAC5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(Cl)(C(C)(C(F)(F)F)C2(Cl)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C21H27Cl2F3/c1-10-11(2)15(6)19(22,14(10)5)18(9,21(24,25)26)20(23)16(7)12(3)13(4)17(20)8/h1-9H3
InChIKeyDRPMIKNVWINAIF-UHFFFAOYSA-N
MW407.35 g/mol
LogP7.88
Rot. Bonds2

About 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene

5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 140968333) has the molecular formula C21H27Cl2F3 and a molecular weight of 407.35 g/mol. Its IUPAC name is 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID140968333
Molecular FormulaC21H27Cl2F3
Molecular Weight407.35 g/mol
Exact Mass406.14
IUPAC Name5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(Cl)(C(C)(C(F)(F)F)C2(Cl)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C21H27Cl2F3/c1-10-11(2)15(6)19(22,14(10)5)18(9,21(24,25)26)20(23)16(7)12(3)13(4)17(20)8/h1-9H3
InChIKeyDRPMIKNVWINAIF-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene 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 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 140968333) is 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene is CC1=C(C)C(Cl)(C(C)(C(F)(F)F)C2(Cl)C(C)=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is DRPMIKNVWINAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2F3/c1-10-11(2)15(6)19(22,14(10)5)18(9,21(24,25)26)20(23)16(7)12(3)13(4)17(20)8/h1-9H3.
What are the key properties of 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 407.35 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5-[2-(1-chloro-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1,1,1-trifluoropropan-2-yl]-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 140968333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).