[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate

C20H14F2O4 — CID 18230073

IUPAC[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
SMILESCC(OC(=O)c1occc1-c1ccccc1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H14F2O4/c1-12(18(23)14-7-8-16(21)17(22)11-14)26-20(24)19-15(9-10-25-19)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyRJMXNSVHDTVUAK-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.65
Rot. Bonds5

About [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate

[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate (PubChem CID 18230073) has the molecular formula C20H14F2O4 and a molecular weight of 356.32 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
PubChem CID18230073
Molecular FormulaC20H14F2O4
Molecular Weight356.32 g/mol
Exact Mass356.09
IUPAC Name[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
SMILESCC(OC(=O)c1occc1-c1ccccc1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H14F2O4/c1-12(18(23)14-7-8-16(21)17(22)11-14)26-20(24)19-15(9-10-25-19)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyRJMXNSVHDTVUAK-UHFFFAOYSA-N
XLogP4.65
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

Phenethyl 2-furoate
CID 251531
Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester
CID 608139
5-(4-Fluoro-phenyl)-furan-2-carbaldehyde
CID 766117
5-Benzyl-furan-2-carboxylic acid methyl ester
CID 766979
4-Formylphenyl 2-furoate
CID 677035
5-(2,4-Difluorophenyl)furan-2-carbaldehyde
CID 592189
Ethyl 4-[5-(5-methyl-2-furyl)-5-oxo-pentoxy]benzoate
CID 490092
Isopropyl 3-(5-formyl-2-furyl)benzoate
CID 806394
Ethyl 5-[(4-isopropylphenoxy)methyl]-2-furoate
CID 892210
4-Acetylphenyl furan-2-carboxylate
CID 746500
Methyl 5-((4-benzoylphenoxy)methyl)furan-2-carboxylate
CID 4378040
AMPK Activator
CID 16760291

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The IUPAC name of [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate (CID 18230073) is [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate.
What is the SMILES notation for [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The canonical SMILES for [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate is CC(OC(=O)c1occc1-c1ccccc1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The InChIKey is RJMXNSVHDTVUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O4/c1-12(18(23)14-7-8-16(21)17(22)11-14)26-20(24)19-15(9-10-25-19)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate has a molecular weight of 356.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate is sourced from PubChem (CID 18230073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).