methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate

C6H5F7O3 — CID 86179501

IUPACmethyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate
SMILESCOC(=O)COC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O3/c1-15-3(14)2-16-4(7,5(8,9)10)6(11,12)13/h2H2,1H3
InChIKeyWYLHHYRDZZEHEE-UHFFFAOYSA-N
MW258.09 g/mol
LogP1.97
Rot. Bonds3

About methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate

methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate (PubChem CID 86179501) has the molecular formula C6H5F7O3 and a molecular weight of 258.09 g/mol. Its IUPAC name is methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate.

Molecular Properties

Compound Namemethyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate
PubChem CID86179501
Molecular FormulaC6H5F7O3
Molecular Weight258.09 g/mol
Exact Mass258.01
IUPAC Namemethyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate
SMILESCOC(=O)COC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O3/c1-15-3(14)2-16-4(7,5(8,9)10)6(11,12)13/h2H2,1H3
InChIKeyWYLHHYRDZZEHEE-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate
CID 154691532
methyl 2-(2,2,2-trifluoroethoxy)acetate
CID 19381016
methyl 2-(methoxymethoxy)acetate
CID 11018922
methyl 2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetate
CID 58275059
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-N-phenylacetamide
CID 71384122
methyl 5,5,6,6,6-pentafluoro-3-oxohexanoate
CID 141036944
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
1,1,1,2,3,3,3-heptafluoropropan-2-yl propanoate
CID 154086915
methyl 4-methyl-3-(trifluoromethyl)pentanoate
CID 59459020
methyl 3-[difluoro(iodo)methoxy]propanoate
CID 126547468
methyl 4,4-difluoro-3,3-dimethylpentanoate
CID 139022480
methyl 2-[methoxy(dimethyl)silyl]oxyacetate
CID 20793346

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate?
The IUPAC name of methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate (CID 86179501) is methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate.
What is the SMILES notation for methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate?
The canonical SMILES for methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate is COC(=O)COC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate?
The InChIKey is WYLHHYRDZZEHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O3/c1-15-3(14)2-16-4(7,5(8,9)10)6(11,12)13/h2H2,1H3.
What are the key properties of methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate?
methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate has a molecular weight of 258.09 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate is sourced from PubChem (CID 86179501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).