2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane

C21H30F2O3 — CID 118593933

IUPAC2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane
SMILESCCCC1(F)COC(c2ccc(C3CCC(OCC)CC3)c(F)c2)OC1
InChIInChI=1S/C21H30F2O3/c1-3-11-21(23)13-25-20(26-14-21)16-7-10-18(19(22)12-16)15-5-8-17(9-6-15)24-4-2/h7,10,12,15,17,20H,3-6,8-9,11,13-14H2,1-2H3
InChIKeyZDCVPVHTHCCZBL-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.44
Rot. Bonds6

About 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane

2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane (PubChem CID 118593933) has the molecular formula C21H30F2O3 and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane
PubChem CID118593933
Molecular FormulaC21H30F2O3
Molecular Weight368.46 g/mol
Exact Mass368.22
IUPAC Name2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane
SMILESCCCC1(F)COC(c2ccc(C3CCC(OCC)CC3)c(F)c2)OC1
InChIInChI=1S/C21H30F2O3/c1-3-11-21(23)13-25-20(26-14-21)16-7-10-18(19(22)12-16)15-5-8-17(9-6-15)24-4-2/h7,10,12,15,17,20H,3-6,8-9,11,13-14H2,1-2H3
InChIKeyZDCVPVHTHCCZBL-UHFFFAOYSA-N
XLogP5.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-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

2-[4-(4-ethoxycyclohexyl)phenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118593949
2-[4-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]phenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594158
5-fluoro-2-[3-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-5-propyl-1,3-dioxane
CID 118594159
2-[4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594214
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2-fluorophenyl]-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594178
5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane
CID 118594060
[2-fluoro-4-(5-fluoro-5-propyl-1,3-dioxan-2-yl)phenyl] 6-propyloxane-3-carboxylate
CID 118594081
2-[3-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]phenyl]-5-propyl-1,3-dioxane
CID 70797487
2-[4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]cyclohexen-1-yl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594181
[3-fluoro-4-(6-propyloxan-3-yl)phenyl] 5-fluoro-5-propyl-1,3-dioxane-2-carboxylate
CID 118594022
4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486506
[2-fluoro-4-(5-fluoro-5-propyl-1,3-dioxan-2-yl)phenyl] 6-(4-ethylcyclohexyl)oxane-3-carboxylate
CID 118594208

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane?
The IUPAC name of 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane (CID 118593933) is 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane is CCCC1(F)COC(c2ccc(C3CCC(OCC)CC3)c(F)c2)OC1.
What is the InChIKey of 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane?
The InChIKey is ZDCVPVHTHCCZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2O3/c1-3-11-21(23)13-25-20(26-14-21)16-7-10-18(19(22)12-16)15-5-8-17(9-6-15)24-4-2/h7,10,12,15,17,20H,3-6,8-9,11,13-14H2,1-2H3.
What are the key properties of 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane?
2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane has a molecular weight of 368.46 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane is sourced from PubChem (CID 118593933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).