[(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate

C18H16F2O2 — CID 139263655

IUPAC[(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)C=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2O2/c1-12(22-13(2)21)11-18(14-3-7-16(19)8-4-14)15-5-9-17(20)10-6-15/h3-12H,1-2H3/t12-/m1/s1
InChIKeyAWCOHKKILLGFEJ-GFCCVEGCSA-N
MW302.32 g/mol
LogP4.35
Rot. Bonds4

About [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate

[(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate (PubChem CID 139263655) has the molecular formula C18H16F2O2 and a molecular weight of 302.32 g/mol. Its IUPAC name is [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate
PubChem CID139263655
Molecular FormulaC18H16F2O2
Molecular Weight302.32 g/mol
Exact Mass302.11
IUPAC Name[(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)C=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2O2/c1-12(22-13(2)21)11-18(14-3-7-16(19)8-4-14)15-5-9-17(20)10-6-15/h3-12H,1-2H3/t12-/m1/s1
InChIKeyAWCOHKKILLGFEJ-GFCCVEGCSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate 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 [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate?
The IUPAC name of [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate (CID 139263655) is [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate.
What is the SMILES notation for [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate?
The canonical SMILES for [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate is CC(=O)O[C@H](C)C=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate?
The InChIKey is AWCOHKKILLGFEJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16F2O2/c1-12(22-13(2)21)11-18(14-3-7-16(19)8-4-14)15-5-9-17(20)10-6-15/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate?
[(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate has a molecular weight of 302.32 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-yl] acetate is sourced from PubChem (CID 139263655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).