2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate

C5H2F8O2 — CID 23155340

IUPAC2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
SMILESO=C(OCC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F8O2/c6-3(7,5(11,12)13)1-15-2(14)4(8,9)10/h1H2
InChIKeyXTPNAUXIOWWIJY-UHFFFAOYSA-N
MW246.05 g/mol
LogP2.29
Rot. Bonds2

About 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate

2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate (PubChem CID 23155340) has the molecular formula C5H2F8O2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
PubChem CID23155340
Molecular FormulaC5H2F8O2
Molecular Weight246.05 g/mol
Exact Mass245.99
IUPAC Name2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
SMILESO=C(OCC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F8O2/c6-3(7,5(11,12)13)1-15-2(14)4(8,9)10/h1H2
InChIKeyXTPNAUXIOWWIJY-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,3-pentafluoropropyl 2,2-dimethylbutanoate
CID 59693462
2,2-bis[(2,2,2-trifluoroacetyl)oxymethyl]butyl 2,2,2-trifluoroacetate
CID 91694798
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
2,2,3,3,3-pentafluoropropyl N-methylcarbamate
CID 141285838
2,2,3,3,3-pentafluoropropyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 99769571
(2,2-difluoro-2-nitroethyl) 2,2,2-trifluoroacetate
CID 23263184
4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
1-O-dodecyl 3-O-(2,2,3,3,3-pentafluoropropyl) 2,2-dimethylpropanedioate
CID 91692971
ethenyl 2,2,3,3,3-pentafluoropropyl carbonate
CID 164944791
2-(2,2,3,3,3-pentafluoropropoxy)acetamide
CID 103725375
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
2-(2,2,2-trifluoroacetyl)oxyacetate
CID 140610089

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate (CID 23155340) is 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate is O=C(OCC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate?
The InChIKey is XTPNAUXIOWWIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F8O2/c6-3(7,5(11,12)13)1-15-2(14)4(8,9)10/h1H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate?
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate has a molecular weight of 246.05 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 23155340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).