2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one

C13H14F4O — CID 114032586

IUPAC2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one
SMILESCC(C)Cc1cccc(C(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H14F4O/c1-8(2)6-9-4-3-5-10(7-9)11(18)13(16,17)12(14)15/h3-5,7-8,12H,6H2,1-2H3
InChIKeyGVUWQBKOVKVTQU-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.97
Rot. Bonds5

About 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one

2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one (PubChem CID 114032586) has the molecular formula C13H14F4O and a molecular weight of 262.25 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one
PubChem CID114032586
Molecular FormulaC13H14F4O
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Name2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one
SMILESCC(C)Cc1cccc(C(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C13H14F4O/c1-8(2)6-9-4-3-5-10(7-9)11(18)13(16,17)12(14)15/h3-5,7-8,12H,6H2,1-2H3
InChIKeyGVUWQBKOVKVTQU-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropyl)benzamide
CID 23130390
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
3-(2-fluoropropyl)benzoic acid
CID 84658380
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
1-[3-(2-methylpropyl)phenyl]-2-methylsulfonylethanone
CID 115812316
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513
(E)-1-[3-(2-methylpropyl)phenyl]but-2-en-1-one
CID 103453516
N,3-bis(2-methylpropyl)benzamide
CID 176945198
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one (CID 114032586) is 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one is CC(C)Cc1cccc(C(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one?
The InChIKey is GVUWQBKOVKVTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O/c1-8(2)6-9-4-3-5-10(7-9)11(18)13(16,17)12(14)15/h3-5,7-8,12H,6H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one?
2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one has a molecular weight of 262.25 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one is sourced from PubChem (CID 114032586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).