1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone

C16H14F2O2 — CID 43800820

IUPAC1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone
SMILESO=C(COCCc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C16H14F2O2/c17-13-7-4-8-14(18)16(13)15(19)11-20-10-9-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyZPWCXBJCSSRWRZ-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.41
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone

1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone (PubChem CID 43800820) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone
PubChem CID43800820
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone
SMILESO=C(COCCc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C16H14F2O2/c17-13-7-4-8-14(18)16(13)15(19)11-20-10-9-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyZPWCXBJCSSRWRZ-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.41
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-chlorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800825
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
CID 43800204
1-(2,6-difluorophenyl)-2-pent-4-enoxyethanone
CID 79114859
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
CID 146011181
2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone
CID 62030412
N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
CID 114988878
1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
CID 43800797
1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one
CID 114885403
1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62029515
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
4-(2-phenylethoxy)but-2-ynoic acid
CID 71727445

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone (CID 43800820) is 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone is O=C(COCCc1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone?
The InChIKey is ZPWCXBJCSSRWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c17-13-7-4-8-14(18)16(13)15(19)11-20-10-9-12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone?
1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone has a molecular weight of 276.28 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone is sourced from PubChem (CID 43800820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).