2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane

C12H20F2O2 — CID 167120552

IUPAC2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane
SMILESCCCC1CC(F)(F)CC1CC1OCCO1
InChIInChI=1S/C12H20F2O2/c1-2-3-9-7-12(13,14)8-10(9)6-11-15-4-5-16-11/h9-11H,2-8H2,1H3
InChIKeyHAUDYSHZTOLRPG-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.21
Rot. Bonds4

About 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane

2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane (PubChem CID 167120552) has the molecular formula C12H20F2O2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane
PubChem CID167120552
Molecular FormulaC12H20F2O2
Molecular Weight234.29 g/mol
Exact Mass234.14
IUPAC Name2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane
SMILESCCCC1CC(F)(F)CC1CC1OCCO1
InChIInChI=1S/C12H20F2O2/c1-2-3-9-7-12(13,14)8-10(9)6-11-15-4-5-16-11/h9-11H,2-8H2,1H3
InChIKeyHAUDYSHZTOLRPG-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-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

(7R)-8-[(3R)-3-fluorobutyl]-7-methyl-1,4-dioxaspiro[4.4]nonane
CID 117908064
2-[3-(2,4-Diethylcyclopentyl)propyl]-1,3-dioxolane
CID 23560951
2-[2-(2,4-Diethylcyclopentyl)ethyl]-1,3-dioxolane
CID 23560935
2-(2,4-Diethylcyclopentyl)-1,3-dioxolane
CID 23560939
2-[(2,4-Diethylcyclopentyl)methyl]-1,3-dioxolane
CID 23560941
2-[4-(2,4-Diethylcyclopentyl)butyl]-1,3-dioxolane
CID 23560954
2-[5-(2,4-Diethylcyclopentyl)pentyl]-1,3-dioxolane
CID 23560961
2-[6-(2,4-Diethylcyclopentyl)hexyl]-1,3-dioxolane
CID 23560972
2-[(2S)-2-methylcyclopentyl]-1,3-dioxolane
CID 142089797
2-[(1R,2R)-2-ethylcyclopentyl]-1,3-dioxolane
CID 159348554

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane (CID 167120552) is 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane is CCCC1CC(F)(F)CC1CC1OCCO1.
What is the InChIKey of 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane?
The InChIKey is HAUDYSHZTOLRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O2/c1-2-3-9-7-12(13,14)8-10(9)6-11-15-4-5-16-11/h9-11H,2-8H2,1H3.
What are the key properties of 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane?
2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane has a molecular weight of 234.29 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 167120552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).