phenyl 2-(1,2,2-trifluoroethoxy)acetate

C10H9F3O3 — CID 175532389

IUPACphenyl 2-(1,2,2-trifluoroethoxy)acetate
SMILESO=C(COC(F)C(F)F)Oc1ccccc1
InChIInChI=1S/C10H9F3O3/c11-9(12)10(13)15-6-8(14)16-7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChIKeyKJKFOWWHWXVFFU-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.17
Rot. Bonds5

About phenyl 2-(1,2,2-trifluoroethoxy)acetate

phenyl 2-(1,2,2-trifluoroethoxy)acetate (PubChem CID 175532389) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is phenyl 2-(1,2,2-trifluoroethoxy)acetate.

Molecular Properties

Compound Namephenyl 2-(1,2,2-trifluoroethoxy)acetate
PubChem CID175532389
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Namephenyl 2-(1,2,2-trifluoroethoxy)acetate
SMILESO=C(COC(F)C(F)F)Oc1ccccc1
InChIInChI=1S/C10H9F3O3/c11-9(12)10(13)15-6-8(14)16-7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChIKeyKJKFOWWHWXVFFU-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl propanoate
CID 161258381
phenyl 2-selanylacetate
CID 174249881
3-oxo-3-phenoxypropanoic acid
CID 3015801
(2-oxo-2-phenoxyethyl) (E)-but-2-enoate
CID 139920306
diphenyl nonanedioate
CID 18428919
CID 161494205
CID 161494205
phenyl 3-hydroxybutanoate
CID 15128113
phenyl 4-fluorobutanoate
CID 58272686
phenyl 3-aminopropanoate;hydrochloride
CID 67243612
phenyl butanoate
CID 20354
phenyl 2-phenylacetate;zinc
CID 70522084
(2-oxo-2-phenoxyethyl)-triphenylphosphanium tetrafluoroborate
CID 10600883

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(1,2,2-trifluoroethoxy)acetate?
The IUPAC name of phenyl 2-(1,2,2-trifluoroethoxy)acetate (CID 175532389) is phenyl 2-(1,2,2-trifluoroethoxy)acetate.
What is the SMILES notation for phenyl 2-(1,2,2-trifluoroethoxy)acetate?
The canonical SMILES for phenyl 2-(1,2,2-trifluoroethoxy)acetate is O=C(COC(F)C(F)F)Oc1ccccc1.
What is the InChIKey of phenyl 2-(1,2,2-trifluoroethoxy)acetate?
The InChIKey is KJKFOWWHWXVFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-9(12)10(13)15-6-8(14)16-7-4-2-1-3-5-7/h1-5,9-10H,6H2.
What are the key properties of phenyl 2-(1,2,2-trifluoroethoxy)acetate?
phenyl 2-(1,2,2-trifluoroethoxy)acetate has a molecular weight of 234.17 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(1,2,2-trifluoroethoxy)acetate is sourced from PubChem (CID 175532389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).