2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one

C10H7F9O3 — CID 134612566

IUPAC2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one
SMILESCOC1(C)OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=CC1=O
InChIInChI=1S/C10H7F9O3/c1-6(21-2)4(20)3-5(22-6)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3
InChIKeyAIBPYIYYOSOJOF-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.30
Rot. Bonds4

About 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one

2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one (PubChem CID 134612566) has the molecular formula C10H7F9O3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one
PubChem CID134612566
Molecular FormulaC10H7F9O3
Molecular Weight346.15 g/mol
Exact Mass346.03
IUPAC Name2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one
SMILESCOC1(C)OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=CC1=O
InChIInChI=1S/C10H7F9O3/c1-6(21-2)4(20)3-5(22-6)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3
InChIKeyAIBPYIYYOSOJOF-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one?
The IUPAC name of 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one (CID 134612566) is 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one.
What is the SMILES notation for 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one?
The canonical SMILES for 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one is COC1(C)OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=CC1=O.
What is the InChIKey of 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one?
The InChIKey is AIBPYIYYOSOJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F9O3/c1-6(21-2)4(20)3-5(22-6)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3.
What are the key properties of 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one?
2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one has a molecular weight of 346.15 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan-3-one is sourced from PubChem (CID 134612566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).