1-[2-(trifluoromethyl)phenoxy]ethyl acetate

C11H11F3O3 — CID 69255536

IUPAC1-[2-(trifluoromethyl)phenoxy]ethyl acetate
SMILESCC(=O)OC(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-7(15)16-8(2)17-10-6-4-3-5-9(10)11(12,13)14/h3-6,8H,1-2H3
InChIKeyDMHNBRWWUXOLKZ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.99
Rot. Bonds3

About 1-[2-(trifluoromethyl)phenoxy]ethyl acetate

1-[2-(trifluoromethyl)phenoxy]ethyl acetate (PubChem CID 69255536) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenoxy]ethyl acetate.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenoxy]ethyl acetate
PubChem CID69255536
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name1-[2-(trifluoromethyl)phenoxy]ethyl acetate
SMILESCC(=O)OC(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-7(15)16-8(2)17-10-6-4-3-5-9(10)11(12,13)14/h3-6,8H,1-2H3
InChIKeyDMHNBRWWUXOLKZ-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(trifluoromethyl)phenoxy]butanoate
CID 43536036
1-[2-[2-[2-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22011551
1-chloroethyl [2-(trifluoromethyl)phenyl] carbonate
CID 86731840
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate
CID 64661650
but-3-yn-2-yl [2-(trifluoromethyl)phenyl] carbonate
CID 152749455
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 111543293
2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 23325091
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
(2R,4R)-2-cyano-N-methyl-3-oxo-4-[2-(trifluoromethyl)phenoxy]pentanamide
CID 98361877
[(1S)-2-methyl-1-[2-(trifluoromethyl)phenoxy]carbonyloxypropyl] 2-methylpropanoate
CID 90367780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenoxy]ethyl acetate?
The IUPAC name of 1-[2-(trifluoromethyl)phenoxy]ethyl acetate (CID 69255536) is 1-[2-(trifluoromethyl)phenoxy]ethyl acetate.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenoxy]ethyl acetate?
The canonical SMILES for 1-[2-(trifluoromethyl)phenoxy]ethyl acetate is CC(=O)OC(C)Oc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenoxy]ethyl acetate?
The InChIKey is DMHNBRWWUXOLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-7(15)16-8(2)17-10-6-4-3-5-9(10)11(12,13)14/h3-6,8H,1-2H3.
What are the key properties of 1-[2-(trifluoromethyl)phenoxy]ethyl acetate?
1-[2-(trifluoromethyl)phenoxy]ethyl acetate has a molecular weight of 248.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenoxy]ethyl acetate is sourced from PubChem (CID 69255536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).