2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

C10H11F7O4 — CID 118049016

IUPAC2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCC(C)C(=O)OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7O4/c1-5(2)6(18)20-3-4-21-7(19)8(11,12)9(13,14)10(15,16)17/h5H,3-4H2,1-2H3
InChIKeyUIYGGCVOTNREPY-UHFFFAOYSA-N
MW328.18 g/mol
LogP2.56
Rot. Bonds6

About 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 118049016) has the molecular formula C10H11F7O4 and a molecular weight of 328.18 g/mol. Its IUPAC name is 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID118049016
Molecular FormulaC10H11F7O4
Molecular Weight328.18 g/mol
Exact Mass328.05
IUPAC Name2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCC(C)C(=O)OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7O4/c1-5(2)6(18)20-3-4-21-7(19)8(11,12)9(13,14)10(15,16)17/h5H,3-4H2,1-2H3
InChIKeyUIYGGCVOTNREPY-UHFFFAOYSA-N
XLogP2.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91737730
[4-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-3-methylbutyl] 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91694758
2-(2-chloro-2,2-difluoroacetyl)oxyethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91725228
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylpropanoate
CID 88853269
pentyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 521107
2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
CID 13278449
1-O-[2-(2,2-dimethylpropanoyloxy)ethyl] 5-O-propan-2-yl 2,2,3,3,4,4-hexafluoropentanedioate
CID 118906556
2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate
CID 521167
2-(4-fluorophenyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91711360
(4-butoxy-4-oxobutyl) 2,2,3,3,4,4,4-heptafluorobutanoate
CID 542340
2,2-bis(2,2,3,3,4,4,4-heptafluorobutanoyloxymethyl)butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91697752
2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730729

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 118049016) is 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is CC(C)C(=O)OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is UIYGGCVOTNREPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O4/c1-5(2)6(18)20-3-4-21-7(19)8(11,12)9(13,14)10(15,16)17/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 328.18 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 118049016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).