2-(2-fluoroethyl)-5-propyl-1,3-dioxane

C9H17FO2 — CID 18344149

IUPAC2-(2-fluoroethyl)-5-propyl-1,3-dioxane
SMILESCCCC1COC(CCF)OC1
InChIInChI=1S/C9H17FO2/c1-2-3-8-6-11-9(4-5-10)12-7-8/h8-9H,2-7H2,1H3
InChIKeyOOVJFNXZNLXCII-UHFFFAOYSA-N
MW176.23 g/mol
LogP2.14
Rot. Bonds4

About 2-(2-fluoroethyl)-5-propyl-1,3-dioxane

2-(2-fluoroethyl)-5-propyl-1,3-dioxane (PubChem CID 18344149) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-propyl-1,3-dioxane
PubChem CID18344149
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name2-(2-fluoroethyl)-5-propyl-1,3-dioxane
SMILESCCCC1COC(CCF)OC1
InChIInChI=1S/C9H17FO2/c1-2-3-8-6-11-9(4-5-10)12-7-8/h8-9H,2-7H2,1H3
InChIKeyOOVJFNXZNLXCII-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoroethyl)-5-propyl-1,3-dioxane 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

1,3-Dioxane, 2-butyl-4,4,6-trimethyl-
CID 94569
1,3-Dioxane, 5-methyl-2-(1-methylbutyl)-5-propyl-
CID 166523
1,3-Dioxane, 5-methyl-2-(2-methylpropyl)-, cis-
CID 23513560
2-(Propan-2-yl)-5-propyl-1,3-dioxane
CID 29627
2-Methyl-5-propyl-1,3-dioxane
CID 31464
1,3-Dioxane, 5,5-dimethyl-2,4-bis(1-methylethyl)-
CID 107113
5-Ethyl-2-(propan-2-yl)-1,3-dioxane
CID 31463
5-(Methoxymethyl)-2-methyl-5-propyl-1,3-dioxane
CID 31467
5-(Methoxymethyl)-2-(propan-2-yl)-5-propyl-1,3-dioxane
CID 31469
cis-2-Methyl-butyl-1,3-dioxane
CID 142339
cis-2-Butyl-5-methyl-1,3-dioxane
CID 142544
cis-2-Ethyl-5-ethyl-1,3-dioxane
CID 68303113

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-propyl-1,3-dioxane?
The IUPAC name of 2-(2-fluoroethyl)-5-propyl-1,3-dioxane (CID 18344149) is 2-(2-fluoroethyl)-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-(2-fluoroethyl)-5-propyl-1,3-dioxane?
The canonical SMILES for 2-(2-fluoroethyl)-5-propyl-1,3-dioxane is CCCC1COC(CCF)OC1.
What is the InChIKey of 2-(2-fluoroethyl)-5-propyl-1,3-dioxane?
The InChIKey is OOVJFNXZNLXCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2/c1-2-3-8-6-11-9(4-5-10)12-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-5-propyl-1,3-dioxane?
2-(2-fluoroethyl)-5-propyl-1,3-dioxane has a molecular weight of 176.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5-propyl-1,3-dioxane is sourced from PubChem (CID 18344149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).