4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one

C6H5F7O2 — CID 2776783

IUPAC4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one
SMILESCC(=O)CC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O2/c1-3(14)2-4(7,5(8,9)10)15-6(11,12)13/h2H2,1H3
InChIKeyHBCCWHHGCKXNAB-UHFFFAOYSA-N
MW242.09 g/mol
LogP2.73
Rot. Bonds3

About 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one

4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one (PubChem CID 2776783) has the molecular formula C6H5F7O2 and a molecular weight of 242.09 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one
PubChem CID2776783
Molecular FormulaC6H5F7O2
Molecular Weight242.09 g/mol
Exact Mass242.02
IUPAC Name4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one
SMILESCC(=O)CC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O2/c1-3(14)2-4(7,5(8,9)10)15-6(11,12)13/h2H2,1H3
InChIKeyHBCCWHHGCKXNAB-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one?
The IUPAC name of 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one (CID 2776783) is 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one.
What is the SMILES notation for 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one?
The canonical SMILES for 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one is CC(=O)CC(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one?
The InChIKey is HBCCWHHGCKXNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O2/c1-3(14)2-4(7,5(8,9)10)15-6(11,12)13/h2H2,1H3.
What are the key properties of 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one?
4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one has a molecular weight of 242.09 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one is sourced from PubChem (CID 2776783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).