2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane

C11H10ClF3O3 — CID 91656242

IUPAC2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(OCC2OCCO2)c(Cl)c1
InChIInChI=1S/C11H10ClF3O3/c12-8-5-7(11(13,14)15)1-2-9(8)18-6-10-16-3-4-17-10/h1-2,5,10H,3-4,6H2
InChIKeyIBJUPOMNPDIOCT-UHFFFAOYSA-N
MW282.64 g/mol
LogP3.11
Rot. Bonds3

About 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane

2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane (PubChem CID 91656242) has the molecular formula C11H10ClF3O3 and a molecular weight of 282.64 g/mol. Its IUPAC name is 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
PubChem CID91656242
Molecular FormulaC11H10ClF3O3
Molecular Weight282.64 g/mol
Exact Mass282.03
IUPAC Name2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(OCC2OCCO2)c(Cl)c1
InChIInChI=1S/C11H10ClF3O3/c12-8-5-7(11(13,14)15)1-2-9(8)18-6-10-16-3-4-17-10/h1-2,5,10H,3-4,6H2
InChIKeyIBJUPOMNPDIOCT-UHFFFAOYSA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]dithiin-3-yl]methanol
CID 462637
Ethyl 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropanoate
CID 58244309
1-Chloro-2-[4-(trifluoromethyl)phenoxy]benzene
CID 91128117
2-[2-chloro-4-(trifluoromethyl)phenoxy]tetrahydro-2H-pyran
CID 11312042
2-Chloro-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
CID 20524725
2-Chloro-4-(methoxymethyl)-1-(trifluoromethoxy)benzene
CID 70661042
Benzene, 2-chloro-1-ethoxy-4-methyl-
CID 111561
2-Chloro-4-(chloromethyl)-1-(2-propen-1-yloxy)benzene
CID 12347938
4-(2-Chloro-4-trifluoromethylphenoxy)benzene
CID 12918171
2-Chloro-1-[3-(dimethoxymethyl)phenoxy]-4-(trifluoromethyl)benzene
CID 13056975
1,3-Dichloro-2-ethoxy-5-(trifluoromethyl)benzene
CID 13059279
2-(2,2,2-Trifluoroethoxy)-3-chlorotoluene
CID 18700110

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
The IUPAC name of 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane (CID 91656242) is 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
The canonical SMILES for 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane is FC(F)(F)c1ccc(OCC2OCCO2)c(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
The InChIKey is IBJUPOMNPDIOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O3/c12-8-5-7(11(13,14)15)1-2-9(8)18-6-10-16-3-4-17-10/h1-2,5,10H,3-4,6H2.
What are the key properties of 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane has a molecular weight of 282.64 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane is sourced from PubChem (CID 91656242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).