2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one

C14H16F4O2 — CID 146008885

IUPAC2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one
SMILESCCC(C)(C)C(=O)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C14H16F4O2/c1-4-13(2,3)11(19)9-5-7-10(8-6-9)20-14(17,18)12(15)16/h5-8,12H,4H2,1-3H3
InChIKeyARXSXLMGOZVKOF-UHFFFAOYSA-N
MW292.27 g/mol
LogP4.54
Rot. Bonds6

About 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one

2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one (PubChem CID 146008885) has the molecular formula C14H16F4O2 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one
PubChem CID146008885
Molecular FormulaC14H16F4O2
Molecular Weight292.27 g/mol
Exact Mass292.11
IUPAC Name2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one
SMILESCCC(C)(C)C(=O)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C14H16F4O2/c1-4-13(2,3)11(19)9-5-7-10(8-6-9)20-14(17,18)12(15)16/h5-8,12H,4H2,1-3H3
InChIKeyARXSXLMGOZVKOF-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one
CID 146008854
2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one
CID 70658144
2,2,3,3,4,4,4-heptafluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one
CID 146008869
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 24724050
ethyl 4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]benzoate
CID 11632715
2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one
CID 62678406
ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 88799052
1-(4-butan-2-ylphenyl)-2,2-dimethylbutan-1-one
CID 55195816
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylbutan-1-one
CID 135133798
4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzoic acid
CID 56628976
2,2,3,3,3-pentafluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one
CID 146005397
piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 154455683

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one (CID 146008885) is 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one is CCC(C)(C)C(=O)c1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one?
The InChIKey is ARXSXLMGOZVKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O2/c1-4-13(2,3)11(19)9-5-7-10(8-6-9)20-14(17,18)12(15)16/h5-8,12H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one?
2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one has a molecular weight of 292.27 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one is sourced from PubChem (CID 146008885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).