ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate

C7H5F9O3 — CID 13419347

IUPACethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate
SMILESCCOC(=O)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O3/c1-2-18-3(17)4(8,9)19-5(10,6(11,12)13)7(14,15)16/h2H2,1H3
InChIKeyRKVIRHVDJLRPBA-UHFFFAOYSA-N
MW308.10 g/mol
LogP2.95
Rot. Bonds4

About ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate

ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate (PubChem CID 13419347) has the molecular formula C7H5F9O3 and a molecular weight of 308.10 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate
PubChem CID13419347
Molecular FormulaC7H5F9O3
Molecular Weight308.10 g/mol
Exact Mass308.01
IUPAC Nameethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate
SMILESCCOC(=O)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O3/c1-2-18-3(17)4(8,9)19-5(10,6(11,12)13)7(14,15)16/h2H2,1H3
InChIKeyRKVIRHVDJLRPBA-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate (CID 13419347) is ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate is CCOC(=O)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate?
The InChIKey is RKVIRHVDJLRPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O3/c1-2-18-3(17)4(8,9)19-5(10,6(11,12)13)7(14,15)16/h2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate?
ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate has a molecular weight of 308.10 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate is sourced from PubChem (CID 13419347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).