5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane

C14H16BrF3O3 — CID 102714672

IUPAC5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(COc2ccc(OC(F)(F)F)c(Br)c2)O1
InChIInChI=1S/C14H16BrF3O3/c1-13(2)6-5-10(20-13)8-19-9-3-4-12(11(15)7-9)21-14(16,17)18/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyWXMZSZMLUIXKBF-UHFFFAOYSA-N
MW369.18 g/mol
LogP4.68
Rot. Bonds4

About 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane

5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane (PubChem CID 102714672) has the molecular formula C14H16BrF3O3 and a molecular weight of 369.18 g/mol. Its IUPAC name is 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane
PubChem CID102714672
Molecular FormulaC14H16BrF3O3
Molecular Weight369.18 g/mol
Exact Mass368.02
IUPAC Name5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(COc2ccc(OC(F)(F)F)c(Br)c2)O1
InChIInChI=1S/C14H16BrF3O3/c1-13(2)6-5-10(20-13)8-19-9-3-4-12(11(15)7-9)21-14(16,17)18/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyWXMZSZMLUIXKBF-UHFFFAOYSA-N
XLogP4.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane 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

4-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]oxane
CID 102674570
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
CID 116520659
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 102714629
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522388
1-[3-bromo-4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 116523117
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide
CID 116522475
4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorobenzenecarbothioamide
CID 116521867
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
CID 116522289
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716568

Frequently Asked Questions

What is the IUPAC name of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane (CID 102714672) is 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane is CC1(C)CCC(COc2ccc(OC(F)(F)F)c(Br)c2)O1.
What is the InChIKey of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane?
The InChIKey is WXMZSZMLUIXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3O3/c1-13(2)6-5-10(20-13)8-19-9-3-4-12(11(15)7-9)21-14(16,17)18/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane?
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane has a molecular weight of 369.18 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane is sourced from PubChem (CID 102714672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).