2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane

C11H13FO2 — CID 169081956

IUPAC2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane
SMILESCCc1c(F)cccc1C1OCCO1
InChIInChI=1S/C11H13FO2/c1-2-8-9(4-3-5-10(8)12)11-13-6-7-14-11/h3-5,11H,2,6-7H2,1H3
InChIKeyFKYGFAOHSAXRHK-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.43
Rot. Bonds2

About 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane

2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane (PubChem CID 169081956) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane
PubChem CID169081956
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane
SMILESCCc1c(F)cccc1C1OCCO1
InChIInChI=1S/C11H13FO2/c1-2-8-9(4-3-5-10(8)12)11-13-6-7-14-11/h3-5,11H,2,6-7H2,1H3
InChIKeyFKYGFAOHSAXRHK-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethyl-3-fluorophenyl)-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

3-fluoro-2-(2,2,2-trifluoroethyl)benzaldehyde;2-[3-fluoro-2-(2,2,2-trifluoroethyl)phenyl]-1,3-dioxolane
CID 163530906
2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane
CID 166904690
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane
CID 163580728
2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
CID 174359153
2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane
CID 90061889
1-cyclopropyl-3-fluoro-2-propylbenzene
CID 143129340
2-(2-ethyl-4-methylphenyl)-1,3-dioxolane
CID 123214481
[2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol
CID 129078971
2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
CID 66692910
4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde
CID 59255459
2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
CID 162421197

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane (CID 169081956) is 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane is CCc1c(F)cccc1C1OCCO1.
What is the InChIKey of 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane?
The InChIKey is FKYGFAOHSAXRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-2-8-9(4-3-5-10(8)12)11-13-6-7-14-11/h3-5,11H,2,6-7H2,1H3.
What are the key properties of 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane?
2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane has a molecular weight of 196.22 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 169081956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).