2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane

C13H15F3O2 — CID 20603161

IUPAC2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane
SMILESFC(F)(F)c1ccc(CCC2OCCCO2)cc1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)11-5-2-10(3-6-11)4-7-12-17-8-1-9-18-12/h2-3,5-6,12H,1,4,7-9H2
InChIKeyHVKDIDFDACHBAB-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.40
Rot. Bonds3

About 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane

2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane (PubChem CID 20603161) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane
PubChem CID20603161
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane
SMILESFC(F)(F)c1ccc(CCC2OCCCO2)cc1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)11-5-2-10(3-6-11)4-7-12-17-8-1-9-18-12/h2-3,5-6,12H,1,4,7-9H2
InChIKeyHVKDIDFDACHBAB-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-Diethoxypropyl)benzene
CID 64820
Cyclamen aldehyde diethyl acetal
CID 23534
2-Benzyl-1,3-dioxane
CID 79601
1,3-Dioxane, 4-methyl-2-(phenylmethyl)-
CID 95634
5,5-Dimethyl-2-(1-phenylethyl)-1,3-dioxane
CID 97791
2-Benzyl-5,5-dimethyl-1,3-dioxane
CID 79602
5,5-Dimethyl-2-(2-phenylethyl)-1,3-dioxane
CID 228928
2,2-Bis(2,2,2-trifluoroethoxy)ethylbenzene
CID 53777002
1,3-Dioxane, 2,5-dimethyl-5-phenyl-
CID 80394
4,4,6-Trimethyl-2-(1-methyl-2-(4-(1-methylethyl)phenyl)ethyl)-1,3-dioxane
CID 11971365
Benzene, 1-(3,3-diethoxy-2-methylpropyl)-4-methyl-
CID 44153908
2-[3-(4-Fluorophenyl)propoxy]oxane
CID 85908794

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane (CID 20603161) is 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane is FC(F)(F)c1ccc(CCC2OCCCO2)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane?
The InChIKey is HVKDIDFDACHBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)11-5-2-10(3-6-11)4-7-12-17-8-1-9-18-12/h2-3,5-6,12H,1,4,7-9H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane?
2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane has a molecular weight of 260.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxane is sourced from PubChem (CID 20603161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).