2-(2-chloro-6-fluorophenyl)-1,3-dioxane

C10H10ClFO2 — CID 82113848

IUPAC2-(2-chloro-6-fluorophenyl)-1,3-dioxane
SMILESFc1cccc(Cl)c1C1OCCCO1
InChIInChI=1S/C10H10ClFO2/c11-7-3-1-4-8(12)9(7)10-13-5-2-6-14-10/h1,3-4,10H,2,5-6H2
InChIKeyFWNMKDNASJHDGB-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.91
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)-1,3-dioxane

2-(2-chloro-6-fluorophenyl)-1,3-dioxane (PubChem CID 82113848) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1,3-dioxane
PubChem CID82113848
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-1,3-dioxane
SMILESFc1cccc(Cl)c1C1OCCCO1
InChIInChI=1S/C10H10ClFO2/c11-7-3-1-4-8(12)9(7)10-13-5-2-6-14-10/h1,3-4,10H,2,5-6H2
InChIKeyFWNMKDNASJHDGB-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-6-fluorophenyl)-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

2-(4-Chlorophenyl)-1,3-dioxolane
CID 305775
2-Phenyl-1,3-dioxane
CID 69874
m-Dioxane, 5,5-bis(chloromethyl)-2-phenyl-
CID 22477
4-Chlorobenzaldehyde dimethyl acetal
CID 520661
1-Chloro-4-(diethoxymethyl)benzene
CID 326160
1,3-Dioxane, 2-(4-chlorophenyl)-
CID 252517
2-Chlorobenzaldehyde ethylene ketal
CID 4054551
2-Chloro-6-fluorobenzyl alcohol, n-butyl ether
CID 91718296
2-Chloro-6-fluorobenzyl alcohol, isopropyl ether
CID 91718298
2-Chloro-6-fluorobenzyl alcohol, 1-methylpropyl ether
CID 91718299
Orthobenzoic acid, o-chloro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
CID 175726
2-(2-Chlorophenyl)-5,5-dimethyl-1,3-dioxane
CID 221915

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1,3-dioxane?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1,3-dioxane (CID 82113848) is 2-(2-chloro-6-fluorophenyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1,3-dioxane?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1,3-dioxane is Fc1cccc(Cl)c1C1OCCCO1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1,3-dioxane?
The InChIKey is FWNMKDNASJHDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c11-7-3-1-4-8(12)9(7)10-13-5-2-6-14-10/h1,3-4,10H,2,5-6H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1,3-dioxane?
2-(2-chloro-6-fluorophenyl)-1,3-dioxane has a molecular weight of 216.64 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1,3-dioxane is sourced from PubChem (CID 82113848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).