5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one

C10H16F4O3 — CID 103473645

IUPAC5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
SMILESCOCCC(C)C(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4O3/c1-7(3-4-16-2)8(15)5-17-6-10(13,14)9(11)12/h7,9H,3-6H2,1-2H3
InChIKeyFEOQORYPXKTZOD-UHFFFAOYSA-N
MW260.23 g/mol
LogP2.15
Rot. Bonds9

About 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one

5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one (PubChem CID 103473645) has the molecular formula C10H16F4O3 and a molecular weight of 260.23 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one.

Molecular Properties

Compound Name5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
PubChem CID103473645
Molecular FormulaC10H16F4O3
Molecular Weight260.23 g/mol
Exact Mass260.10
IUPAC Name5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
SMILESCOCCC(C)C(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4O3/c1-7(3-4-16-2)8(15)5-17-6-10(13,14)9(11)12/h7,9H,3-6H2,1-2H3
InChIKeyFEOQORYPXKTZOD-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-one
CID 103147041
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473882
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475122
1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473659
2-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]ethanol
CID 97109325
1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one
CID 103473872
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
1-(2,2,3,3-tetrafluoropropoxy)hept-5-yn-2-one
CID 103473818
1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 103473846
[1-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl] prop-2-enoate
CID 152734803
5-methoxy-3-methyl-1-piperidin-4-yloxypentan-2-one
CID 116571064
2-hydroxy-6-methoxy-4-methylhexan-3-one
CID 103451528

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one?
The IUPAC name of 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one (CID 103473645) is 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one.
What is the SMILES notation for 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one?
The canonical SMILES for 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one is COCCC(C)C(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one?
The InChIKey is FEOQORYPXKTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O3/c1-7(3-4-16-2)8(15)5-17-6-10(13,14)9(11)12/h7,9H,3-6H2,1-2H3.
What are the key properties of 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one?
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one has a molecular weight of 260.23 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one is sourced from PubChem (CID 103473645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).