2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one

C10H16F4O2 — CID 176614512

IUPAC2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one
SMILESCC(C)C(=O)C(C)(C)OCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4O2/c1-6(2)7(15)9(3,4)16-5-10(13,14)8(11)12/h6,8H,5H2,1-4H3
InChIKeyOFHNSZYXWGDVJB-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.91
Rot. Bonds6

About 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one

2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one (PubChem CID 176614512) has the molecular formula C10H16F4O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one
PubChem CID176614512
Molecular FormulaC10H16F4O2
Molecular Weight244.23 g/mol
Exact Mass244.11
IUPAC Name2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one
SMILESCC(C)C(=O)C(C)(C)OCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4O2/c1-6(2)7(15)9(3,4)16-5-10(13,14)8(11)12/h6,8H,5H2,1-4H3
InChIKeyOFHNSZYXWGDVJB-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one?
The IUPAC name of 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one (CID 176614512) is 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one.
What is the SMILES notation for 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one?
The canonical SMILES for 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one is CC(C)C(=O)C(C)(C)OCC(F)(F)C(F)F.
What is the InChIKey of 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one?
The InChIKey is OFHNSZYXWGDVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O2/c1-6(2)7(15)9(3,4)16-5-10(13,14)8(11)12/h6,8H,5H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one?
2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one has a molecular weight of 244.23 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one is sourced from PubChem (CID 176614512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).