1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one

C7H7F7O — CID 12735373

IUPAC1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one
SMILESCC(C)C(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-3(2)4(15)5(8,6(9,10)11)7(12,13)14/h3H,1-2H3
InChIKeyANKPHPVKEKGBFK-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.04
Rot. Bonds2

About 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one

1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one (PubChem CID 12735373) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one
PubChem CID12735373
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one
SMILESCC(C)C(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-3(2)4(15)5(8,6(9,10)11)7(12,13)14/h3H,1-2H3
InChIKeyANKPHPVKEKGBFK-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one?
The IUPAC name of 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one (CID 12735373) is 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one.
What is the SMILES notation for 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one?
The canonical SMILES for 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one is CC(C)C(=O)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one?
The InChIKey is ANKPHPVKEKGBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c1-3(2)4(15)5(8,6(9,10)11)7(12,13)14/h3H,1-2H3.
What are the key properties of 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one?
1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one has a molecular weight of 240.12 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one is sourced from PubChem (CID 12735373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).