2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane

C19H18F2O2 — CID 11109870

IUPAC2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane
SMILESCc1ccc(C2C(C3(c4ccccc4)OCCO3)C2(F)F)cc1
InChIInChI=1S/C19H18F2O2/c1-13-7-9-14(10-8-13)16-17(18(16,20)21)19(22-11-12-23-19)15-5-3-2-4-6-15/h2-10,16-17H,11-12H2,1H3
InChIKeyCMPVORKWRAFLDB-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.24
Rot. Bonds3

About 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane

2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane (PubChem CID 11109870) has the molecular formula C19H18F2O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane
PubChem CID11109870
Molecular FormulaC19H18F2O2
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane
SMILESCc1ccc(C2C(C3(c4ccccc4)OCCO3)C2(F)F)cc1
InChIInChI=1S/C19H18F2O2/c1-13-7-9-14(10-8-13)16-17(18(16,20)21)19(22-11-12-23-19)15-5-3-2-4-6-15/h2-10,16-17H,11-12H2,1H3
InChIKeyCMPVORKWRAFLDB-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane 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 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane?
The IUPAC name of 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane (CID 11109870) is 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane is Cc1ccc(C2C(C3(c4ccccc4)OCCO3)C2(F)F)cc1.
What is the InChIKey of 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane?
The InChIKey is CMPVORKWRAFLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O2/c1-13-7-9-14(10-8-13)16-17(18(16,20)21)19(22-11-12-23-19)15-5-3-2-4-6-15/h2-10,16-17H,11-12H2,1H3.
What are the key properties of 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane?
2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane has a molecular weight of 316.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 11109870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).