2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane

C13H17FO3 — CID 83959412

IUPAC2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(F)ccc2OC)OCCO1
InChIInChI=1S/C13H17FO3/c1-3-6-13(16-7-8-17-13)11-9-10(14)4-5-12(11)15-2/h4-5,9H,3,6-8H2,1-2H3
InChIKeyHPACTDMIFGSSBL-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.83
Rot. Bonds4

About 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane

2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane (PubChem CID 83959412) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
PubChem CID83959412
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(F)ccc2OC)OCCO1
InChIInChI=1S/C13H17FO3/c1-3-6-13(16-7-8-17-13)11-9-10(14)4-5-12(11)15-2/h4-5,9H,3,6-8H2,1-2H3
InChIKeyHPACTDMIFGSSBL-UHFFFAOYSA-N
XLogP2.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-2-methoxyphenyl)-2-propyl-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-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane
CID 83958425
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959407
2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 83959424
8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 82770535
2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane
CID 83949927
4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
4-(chloromethyl)-4-(5-fluoro-2-methoxyphenyl)oxane
CID 82089670
3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
CID 166607967
2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane
CID 83958921
[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82117511
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane (CID 83959412) is 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane is CCCC1(c2cc(F)ccc2OC)OCCO1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane?
The InChIKey is HPACTDMIFGSSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-3-6-13(16-7-8-17-13)11-9-10(14)4-5-12(11)15-2/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane?
2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane has a molecular weight of 240.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83959412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).