1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone

C19H16F2O2 — CID 11109807

IUPAC1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F2O2/c1-12(22)18-11-19(23-13(18)2,14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10H,11H2,1-2H3
InChIKeyOITXLAFFFNQTNL-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.49
Rot. Bonds3

About 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone

1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone (PubChem CID 11109807) has the molecular formula C19H16F2O2 and a molecular weight of 314.33 g/mol. Its IUPAC name is 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone
PubChem CID11109807
Molecular FormulaC19H16F2O2
Molecular Weight314.33 g/mol
Exact Mass314.11
IUPAC Name1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F2O2/c1-12(22)18-11-19(23-13(18)2,14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10H,11H2,1-2H3
InChIKeyOITXLAFFFNQTNL-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(4-fluorophenyl)-3-[3-(methoxymethyl)phenyl]cyclohex-2-en-1-one
CID 44144025
2,2-Dimethyl-3-[3-(trifluoromethyl)phenyl]selanyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 122187681
3-(4-Fluorophenyl)selanyl-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 168282099
(5R)-5-(4-fluorophenyl)-3-[2-(methoxymethyl)phenyl]cyclohex-2-en-1-one
CID 44144028
1-Oxo-2-phenyl-1h-inden-3-yl acetate
CID 291217
4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile
CID 15086705
7a-methyl-2,4,5-triphenyl-7a-hydro-7aH-cyclopenta[2,1-b]pyran-7-one
CID 2825367
3-Methoxy-2-phenyl-inden-1-one
CID 528162
beta-Ethoxychalcone
CID 5462970
2,2-Dimethyl-3-[4-(trifluoromethyl)phenyl]selanyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 171351693
(4R,5R)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
CID 24740266
(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
CID 25207990

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone (CID 11109807) is 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone is CC(=O)C1=C(C)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone?
The InChIKey is OITXLAFFFNQTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2O2/c1-12(22)18-11-19(23-13(18)2,14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10H,11H2,1-2H3.
What are the key properties of 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone?
1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone has a molecular weight of 314.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone is sourced from PubChem (CID 11109807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).