2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene

C11H13F3O2 — CID 14221122

IUPAC2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
SMILESFC(F)(F)COCCOCc1ccccc1
InChIInChI=1S/C11H13F3O2/c12-11(13,14)9-16-7-6-15-8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyJCCVVUQPHAXXIH-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.78
Rot. Bonds6

About 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene

2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene (PubChem CID 14221122) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
PubChem CID14221122
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
SMILESFC(F)(F)COCCOCc1ccccc1
InChIInChI=1S/C11H13F3O2/c12-11(13,14)9-16-7-6-15-8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyJCCVVUQPHAXXIH-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene
CID 146493761
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide
CID 91659041
2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine
CID 87162454
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol
CID 138693605

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene (CID 14221122) is 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene is FC(F)(F)COCCOCc1ccccc1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene?
The InChIKey is JCCVVUQPHAXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c12-11(13,14)9-16-7-6-15-8-10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene?
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene has a molecular weight of 234.22 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene is sourced from PubChem (CID 14221122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).