2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane

C13H17FO4 — CID 83949927

IUPAC2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane
SMILESCCC1(c2cc(OC)c(OC)cc2F)OCCO1
InChIInChI=1S/C13H17FO4/c1-4-13(17-5-6-18-13)9-7-11(15-2)12(16-3)8-10(9)14/h7-8H,4-6H2,1-3H3
InChIKeyHKMPBPGDBLNHHU-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.45
Rot. Bonds4

About 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane

2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane (PubChem CID 83949927) has the molecular formula C13H17FO4 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane
PubChem CID83949927
Molecular FormulaC13H17FO4
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane
SMILESCCC1(c2cc(OC)c(OC)cc2F)OCCO1
InChIInChI=1S/C13H17FO4/c1-4-13(17-5-6-18-13)9-7-11(15-2)12(16-3)8-10(9)14/h7-8H,4-6H2,1-3H3
InChIKeyHKMPBPGDBLNHHU-UHFFFAOYSA-N
XLogP2.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-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-ethyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 83949783
2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959412
2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959407
2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane
CID 83958722
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83959353
2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83958354
6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine
CID 11076111
3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 94277490
[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
CID 116829775
ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate
CID 58763350

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane (CID 83949927) is 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane is CCC1(c2cc(OC)c(OC)cc2F)OCCO1.
What is the InChIKey of 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane?
The InChIKey is HKMPBPGDBLNHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO4/c1-4-13(17-5-6-18-13)9-7-11(15-2)12(16-3)8-10(9)14/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane?
2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane has a molecular weight of 256.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 83949927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).