tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate

C14H17F3O3 — CID 66339372

IUPACtert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate
SMILESCC(Oc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H17F3O3/c1-9(12(18)20-13(2,3)4)19-11-7-5-6-10(8-11)14(15,16)17/h5-9H,1-4H3
InChIKeyCDJIMRIYMZNEEW-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate

tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate (PubChem CID 66339372) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate
PubChem CID66339372
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Nametert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate
SMILESCC(Oc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H17F3O3/c1-9(12(18)20-13(2,3)4)19-11-7-5-6-10(8-11)14(15,16)17/h5-9H,1-4H3
InChIKeyCDJIMRIYMZNEEW-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
tert-butyl 2-(3-methylphenoxy)propanoate
CID 66337727
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
tert-butyl 3-[3-(trifluoromethyl)phenoxy]propanoate
CID 116659124
tert-butyl 2-cyano-2-[3-(trifluoromethyl)phenyl]acetate
CID 102590069
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
tert-butyl 2-(4-iodophenoxy)propanoate
CID 66338461
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 40636207
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate?
The IUPAC name of tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate (CID 66339372) is tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate.
What is the SMILES notation for tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate?
The canonical SMILES for tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate is CC(Oc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate?
The InChIKey is CDJIMRIYMZNEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c1-9(12(18)20-13(2,3)4)19-11-7-5-6-10(8-11)14(15,16)17/h5-9H,1-4H3.
What are the key properties of tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate?
tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate has a molecular weight of 290.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate is sourced from PubChem (CID 66339372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).