methyl 2,3,3-trifluoro-3-methoxypropanoate

C5H7F3O3 — CID 44717736

IUPACmethyl 2,3,3-trifluoro-3-methoxypropanoate
SMILESCOC(=O)C(F)C(F)(F)OC
InChIInChI=1S/C5H7F3O3/c1-10-4(9)3(6)5(7,8)11-2/h3H,1-2H3
InChIKeyZUTCBKKHRASHQP-UHFFFAOYSA-N
MW172.10 g/mol
LogP0.74
Rot. Bonds3

About methyl 2,3,3-trifluoro-3-methoxypropanoate

methyl 2,3,3-trifluoro-3-methoxypropanoate (PubChem CID 44717736) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is methyl 2,3,3-trifluoro-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2,3,3-trifluoro-3-methoxypropanoate
PubChem CID44717736
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Namemethyl 2,3,3-trifluoro-3-methoxypropanoate
SMILESCOC(=O)C(F)C(F)(F)OC
InChIInChI=1S/C5H7F3O3/c1-10-4(9)3(6)5(7,8)11-2/h3H,1-2H3
InChIKeyZUTCBKKHRASHQP-UHFFFAOYSA-N
XLogP0.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3,3-trifluoro-3-methoxypropanoate?
The IUPAC name of methyl 2,3,3-trifluoro-3-methoxypropanoate (CID 44717736) is methyl 2,3,3-trifluoro-3-methoxypropanoate.
What is the SMILES notation for methyl 2,3,3-trifluoro-3-methoxypropanoate?
The canonical SMILES for methyl 2,3,3-trifluoro-3-methoxypropanoate is COC(=O)C(F)C(F)(F)OC.
What is the InChIKey of methyl 2,3,3-trifluoro-3-methoxypropanoate?
The InChIKey is ZUTCBKKHRASHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-10-4(9)3(6)5(7,8)11-2/h3H,1-2H3.
What are the key properties of methyl 2,3,3-trifluoro-3-methoxypropanoate?
methyl 2,3,3-trifluoro-3-methoxypropanoate has a molecular weight of 172.10 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,3-trifluoro-3-methoxypropanoate is sourced from PubChem (CID 44717736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).