1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone

C17H16F2O2 — CID 43612545

IUPAC1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccc(OCC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C17H16F2O2/c1-11(2)12-6-8-13(9-7-12)21-10-16(20)17-14(18)4-3-5-15(17)19/h3-9,11H,10H2,1-2H3
InChIKeyPPNQHQLDEVDEGH-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.35
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone

1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone (PubChem CID 43612545) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
PubChem CID43612545
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccc(OCC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C17H16F2O2/c1-11(2)12-6-8-13(9-7-12)21-10-16(20)17-14(18)4-3-5-15(17)19/h3-9,11H,10H2,1-2H3
InChIKeyPPNQHQLDEVDEGH-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone
CID 83140068
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 1310661
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43411964
acetyl 2-(4-propan-2-ylphenoxy)acetate
CID 87594252
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone (CID 43612545) is 1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone is CC(C)c1ccc(OCC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone?
The InChIKey is PPNQHQLDEVDEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-11(2)12-6-8-13(9-7-12)21-10-16(20)17-14(18)4-3-5-15(17)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone?
1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone has a molecular weight of 290.31 g/mol, XLogP of 4.35, 5 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-(4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43612545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).