2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone

C17H16F2O2 — CID 43612507

IUPAC2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)COc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2O2/c1-11(2)12-3-5-13(6-4-12)17(20)10-21-14-7-8-15(18)16(19)9-14/h3-9,11H,10H2,1-2H3
InChIKeyVHNFCLKETFBOEL-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.35
Rot. Bonds5

About 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone

2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43612507) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43612507
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)COc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2O2/c1-11(2)12-3-5-13(6-4-12)17(20)10-21-14-7-8-15(18)16(19)9-14/h3-9,11H,10H2,1-2H3
InChIKeyVHNFCLKETFBOEL-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-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
3-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzaldehyde
CID 60624316

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone (CID 43612507) is 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)COc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is VHNFCLKETFBOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-11(2)12-3-5-13(6-4-12)17(20)10-21-14-7-8-15(18)16(19)9-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)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 2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43612507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).