1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone

C14H7F5O2 — CID 103603982

IUPAC1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
SMILESO=C(COc1c(F)c(F)cc(F)c1F)c1cccc(F)c1
InChIInChI=1S/C14H7F5O2/c15-8-3-1-2-7(4-8)11(20)6-21-14-12(18)9(16)5-10(17)13(14)19/h1-5H,6H2
InChIKeyMOGZCCLFLKFKAC-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.64
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone

1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone (PubChem CID 103603982) has the molecular formula C14H7F5O2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
PubChem CID103603982
Molecular FormulaC14H7F5O2
Molecular Weight302.20 g/mol
Exact Mass302.04
IUPAC Name1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
SMILESO=C(COc1c(F)c(F)cc(F)c1F)c1cccc(F)c1
InChIInChI=1S/C14H7F5O2/c15-8-3-1-2-7(4-8)11(20)6-21-14-12(18)9(16)5-10(17)13(14)19/h1-5H,6H2
InChIKeyMOGZCCLFLKFKAC-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 63566889
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778139
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
2-(2-bromo-6-nitrophenoxy)-1-(3-fluorophenyl)ethanone
CID 81496683
1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799454
1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
CID 43226497
2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544338
1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800565
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone (CID 103603982) is 1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone is O=C(COc1c(F)c(F)cc(F)c1F)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone?
The InChIKey is MOGZCCLFLKFKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5O2/c15-8-3-1-2-7(4-8)11(20)6-21-14-12(18)9(16)5-10(17)13(14)19/h1-5H,6H2.
What are the key properties of 1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone?
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone has a molecular weight of 302.20 g/mol, XLogP of 3.64, 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-(2,3,5,6-tetrafluorophenoxy)ethanone is sourced from PubChem (CID 103603982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).