2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane

C12H12F2O2 — CID 11770148

IUPAC2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane
SMILESFC1(F)C(c2ccccc2)C1C1OCCO1
InChIInChI=1S/C12H12F2O2/c13-12(14)9(8-4-2-1-3-5-8)10(12)11-15-6-7-16-11/h1-5,9-11H,6-7H2
InChIKeyDXGHEEOTPNAWIB-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.41
Rot. Bonds2

About 2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane

2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane (PubChem CID 11770148) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane
PubChem CID11770148
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane
SMILESFC1(F)C(c2ccccc2)C1C1OCCO1
InChIInChI=1S/C12H12F2O2/c13-12(14)9(8-4-2-1-3-5-8)10(12)11-15-6-7-16-11/h1-5,9-11H,6-7H2
InChIKeyDXGHEEOTPNAWIB-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-difluoro-3-phenylcyclopropyl)-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

Related Compounds

2-Phenylpropanal propylene glycol acetal
CID 236687
2-Benzyl-1,3-dioxolane
CID 7562
1,3-Dioxolane, 2-(1-phenylethyl)-
CID 97785
2-Phenethyldioxolane
CID 64811
1,3-Dioxolane, 2-(1-methyl-2-(4-(1-methylethyl)phenyl)ethyl)-
CID 175216
2-Ethoxy-3-phenethyl-2-(trifluoromethyl)oxirane
CID 15651912
4-Methyl-2-(2-phenylpropyl)-1,3-dioxolane
CID 2828528
2,2-Bis(2,2,2-trifluoroethoxy)ethylbenzene
CID 53777002
2-Phenyl-1-cyclopropanecarboxaldehyde diethyl acetal
CID 5123729
2-(4-(Trifluoromethyl)phenethyl)-1,3-dioxolane
CID 102163930
5-Butoxy-3-[(3,4-difluorophenyl)methyl]-2,2-dimethyloxolane
CID 102508598
(4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 122208006

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane?
The IUPAC name of 2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane (CID 11770148) is 2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane is FC1(F)C(c2ccccc2)C1C1OCCO1.
What is the InChIKey of 2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane?
The InChIKey is DXGHEEOTPNAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-12(14)9(8-4-2-1-3-5-8)10(12)11-15-6-7-16-11/h1-5,9-11H,6-7H2.
What are the key properties of 2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane?
2-(2,2-difluoro-3-phenylcyclopropyl)-1,3-dioxolane has a molecular weight of 226.22 g/mol, XLogP of 2.41, 2 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-phenylcyclopropyl)-1,3-dioxolane is sourced from PubChem (CID 11770148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).