1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C11H10F4O2 — CID 43793495

IUPAC1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H10F4O2/c12-9-3-1-8(2-4-9)10(16)5-6-17-7-11(13,14)15/h1-4H,5-7H2
InChIKeyWOBDZQHLZBFKRL-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 43793495) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID43793495
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H10F4O2/c12-9-3-1-8(2-4-9)10(16)5-6-17-7-11(13,14)15/h1-4H,5-7H2
InChIKeyWOBDZQHLZBFKRL-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103213042
N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide
CID 103206455
1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
CID 112588313
1-(4-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55096171
1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146833
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
1-(5-fluoro-1H-indol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206688
1-(3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55096503
1-(4-methoxy-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206599
1-(4-fluorophenyl)-3-[(2-fluorophenyl)methoxy]propan-1-one
CID 63935532
1-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 113230951
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 43793495) is 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one is O=C(CCOCC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is WOBDZQHLZBFKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c12-9-3-1-8(2-4-9)10(16)5-6-17-7-11(13,14)15/h1-4H,5-7H2.
What are the key properties of 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 250.19 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 43793495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).