ethyl 3,3,3-trifluoro-2-methoxypropanoate

C6H9F3O3 — CID 22913356

IUPACethyl 3,3,3-trifluoro-2-methoxypropanoate
SMILESCCOC(=O)C(OC)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-3-12-5(10)4(11-2)6(7,8)9/h4H,3H2,1-2H3
InChIKeyGAJZAZSIMQHEJT-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.13
Rot. Bonds3

About ethyl 3,3,3-trifluoro-2-methoxypropanoate

ethyl 3,3,3-trifluoro-2-methoxypropanoate (PubChem CID 22913356) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is ethyl 3,3,3-trifluoro-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl 3,3,3-trifluoro-2-methoxypropanoate
PubChem CID22913356
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Nameethyl 3,3,3-trifluoro-2-methoxypropanoate
SMILESCCOC(=O)C(OC)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-3-12-5(10)4(11-2)6(7,8)9/h4H,3H2,1-2H3
InChIKeyGAJZAZSIMQHEJT-UHFFFAOYSA-N
XLogP1.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbutyl 3,3,3-trifluoro-2-methoxypropanoate
CID 54012114
ethyl (2R)-2-dimethoxyphosphoryloxy-3,3,3-trifluoropropanoate
CID 7038863
ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
CID 150708955
ethyl (2R)-2-[ethoxy(methyl)phosphoryl]oxy-3,3,3-trifluoropropanoate
CID 11864422
ethyl 2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate
CID 610019
diethyl 2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]propanedioate
CID 129383390
ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate
CID 171247408
ethyl (2R,3S)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoate
CID 7154340
ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate
CID 118989031
ethyl (2S)-3,3,3-trifluoro-2-[methyl(2-methylpropoxy)phosphoryl]oxypropanoate
CID 11864406
ethyl (2S)-2-[butoxy(methyl)phosphoryl]oxy-3,3,3-trifluoropropanoate
CID 11864759
butyl 3,3,3-trifluoro-2-propoxypropanoate
CID 22913450

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3,3-trifluoro-2-methoxypropanoate?
The IUPAC name of ethyl 3,3,3-trifluoro-2-methoxypropanoate (CID 22913356) is ethyl 3,3,3-trifluoro-2-methoxypropanoate.
What is the SMILES notation for ethyl 3,3,3-trifluoro-2-methoxypropanoate?
The canonical SMILES for ethyl 3,3,3-trifluoro-2-methoxypropanoate is CCOC(=O)C(OC)C(F)(F)F.
What is the InChIKey of ethyl 3,3,3-trifluoro-2-methoxypropanoate?
The InChIKey is GAJZAZSIMQHEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-3-12-5(10)4(11-2)6(7,8)9/h4H,3H2,1-2H3.
What are the key properties of ethyl 3,3,3-trifluoro-2-methoxypropanoate?
ethyl 3,3,3-trifluoro-2-methoxypropanoate has a molecular weight of 186.13 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3,3-trifluoro-2-methoxypropanoate is sourced from PubChem (CID 22913356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).