1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone

C10H8F4O2 — CID 43799454

IUPAC1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C10H8F4O2/c11-8-3-1-2-7(4-8)9(15)5-16-6-10(12,13)14/h1-4H,5-6H2
InChIKeyJSORFMRJRVKYDS-UHFFFAOYSA-N
MW236.16 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799454) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799454
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C10H8F4O2/c11-8-3-1-2-7(4-8)9(15)5-16-6-10(12,13)14/h1-4H,5-6H2
InChIKeyJSORFMRJRVKYDS-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutoxy)-1-(3-fluorophenyl)ethanone
CID 66234529
1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214452
1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800565
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 8675820
1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029821
1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone
CID 62034554
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
1-(3-fluorophenyl)-2-isocyanoethanone
CID 58318646
1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 106645011
3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene
CID 14469488
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799454) is 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is JSORFMRJRVKYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c11-8-3-1-2-7(4-8)9(15)5-16-6-10(12,13)14/h1-4H,5-6H2.
What are the key properties of 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 236.16 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).