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

C13H14F4O2 — CID 146008854

IUPAC2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C13H14F4O2/c1-12(2,3)10(18)8-4-6-9(7-5-8)19-13(16,17)11(14)15/h4-7,11H,1-3H3
InChIKeyCGGLJSLYJINKEW-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.15
Rot. Bonds4

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

2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one (PubChem CID 146008854) has the molecular formula C13H14F4O2 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one
PubChem CID146008854
Molecular FormulaC13H14F4O2
Molecular Weight278.25 g/mol
Exact Mass278.09
IUPAC Name2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C13H14F4O2/c1-12(2,3)10(18)8-4-6-9(7-5-8)19-13(16,17)11(14)15/h4-7,11H,1-3H3
InChIKeyCGGLJSLYJINKEW-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.15
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]butan-1-one
CID 146008885
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-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one
CID 155206857
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
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
ethyl 4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]benzoate
CID 11632715
1-[4-[4-(4-tert-butylphenoxy)phenoxy]phenyl]-2,2-dimethylpropan-1-one
CID 20643573
methyl (2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171228282
4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzoic acid
CID 56628976
1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 26985388
ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 88799052

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one (CID 146008854) is 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one is CC(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]propan-1-one?
The InChIKey is CGGLJSLYJINKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O2/c1-12(2,3)10(18)8-4-6-9(7-5-8)19-13(16,17)11(14)15/h4-7,11H,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one?
2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one has a molecular weight of 278.25 g/mol, XLogP of 4.15, 4 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]propan-1-one is sourced from PubChem (CID 146008854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).