2,2,2-trifluoroethyl 2-phenylacetate

C10H9F3O2 — CID 11252939

IUPAC2,2,2-trifluoroethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(F)(F)F
InChIInChI=1S/C10H9F3O2/c11-10(12,13)7-15-9(14)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVHIUOPPXSZKVQU-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.33
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-phenylacetate

2,2,2-trifluoroethyl 2-phenylacetate (PubChem CID 11252939) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-phenylacetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-phenylacetate
PubChem CID11252939
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2,2,2-trifluoroethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(F)(F)F
InChIInChI=1S/C10H9F3O2/c11-10(12,13)7-15-9(14)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVHIUOPPXSZKVQU-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylacetic Acid
CID 999
2-Phenylethyl propionate
CID 31225
Allyl phenylacetate
CID 15717
Methyl phenylacetate
CID 7559
2-Phenylethyl Acetate
CID 7654
Phenethyl phenylacetate
CID 7601
Phenethyl butyrate
CID 7658
Phenethyl hexanoate
CID 61384
Phenylethyl 2-methylbutyrate
CID 520148
Ethyl phenylacetate
CID 7590
Isopropyl Phenylacetate
CID 62553
Isoamyl phenylacetate
CID 7600

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-phenylacetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-phenylacetate (CID 11252939) is 2,2,2-trifluoroethyl 2-phenylacetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-phenylacetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-phenylacetate is O=C(Cc1ccccc1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-phenylacetate?
The InChIKey is VHIUOPPXSZKVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)7-15-9(14)6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2,2,2-trifluoroethyl 2-phenylacetate?
2,2,2-trifluoroethyl 2-phenylacetate has a molecular weight of 218.17 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-phenylacetate is sourced from PubChem (CID 11252939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).