(2-chloro-1,1,2-trifluoroethoxy)methylbenzene

C9H8ClF3O — CID 13265955

IUPAC(2-chloro-1,1,2-trifluoroethoxy)methylbenzene
SMILESFC(Cl)C(F)(F)OCc1ccccc1
InChIInChI=1S/C9H8ClF3O/c10-8(11)9(12,13)14-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyWFHGWZOEUYDDHG-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.33
Rot. Bonds4

About (2-chloro-1,1,2-trifluoroethoxy)methylbenzene

(2-chloro-1,1,2-trifluoroethoxy)methylbenzene (PubChem CID 13265955) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is (2-chloro-1,1,2-trifluoroethoxy)methylbenzene.

Molecular Properties

Compound Name(2-chloro-1,1,2-trifluoroethoxy)methylbenzene
PubChem CID13265955
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name(2-chloro-1,1,2-trifluoroethoxy)methylbenzene
SMILESFC(Cl)C(F)(F)OCc1ccccc1
InChIInChI=1S/C9H8ClF3O/c10-8(11)9(12,13)14-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyWFHGWZOEUYDDHG-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,1,2-trifluoroethoxy)methylbenzene?
The IUPAC name of (2-chloro-1,1,2-trifluoroethoxy)methylbenzene (CID 13265955) is (2-chloro-1,1,2-trifluoroethoxy)methylbenzene.
What is the SMILES notation for (2-chloro-1,1,2-trifluoroethoxy)methylbenzene?
The canonical SMILES for (2-chloro-1,1,2-trifluoroethoxy)methylbenzene is FC(Cl)C(F)(F)OCc1ccccc1.
What is the InChIKey of (2-chloro-1,1,2-trifluoroethoxy)methylbenzene?
The InChIKey is WFHGWZOEUYDDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c10-8(11)9(12,13)14-6-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of (2-chloro-1,1,2-trifluoroethoxy)methylbenzene?
(2-chloro-1,1,2-trifluoroethoxy)methylbenzene has a molecular weight of 224.61 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,1,2-trifluoroethoxy)methylbenzene is sourced from PubChem (CID 13265955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).