[4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate

C19H14ClFO4 — CID 67426220

IUPAC[4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cc(-c2cccc(Cl)c2)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H14ClFO4/c1-2-23-19(22)25-17-11-16(13-4-3-5-14(20)10-13)18(24-17)12-6-8-15(21)9-7-12/h3-11H,2H2,1H3
InChIKeyYFMFOMGFUCQFBU-UHFFFAOYSA-N
MW360.77 g/mol
LogP5.94
Rot. Bonds4

About [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate

[4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate (PubChem CID 67426220) has the molecular formula C19H14ClFO4 and a molecular weight of 360.77 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate
PubChem CID67426220
Molecular FormulaC19H14ClFO4
Molecular Weight360.77 g/mol
Exact Mass360.06
IUPAC Name[4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cc(-c2cccc(Cl)c2)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H14ClFO4/c1-2-23-19(22)25-17-11-16(13-4-3-5-14(20)10-13)18(24-17)12-6-8-15(21)9-7-12/h3-11H,2H2,1H3
InChIKeyYFMFOMGFUCQFBU-UHFFFAOYSA-N
XLogP5.94
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.77
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chloro-5-fluorophenyl)-5-(3-cyanophenyl)furan-2-yl] ethyl carbonate
CID 67436020
[4-(3-cyano-5-fluorophenyl)-5-(3-cyanophenyl)furan-2-yl] ethyl carbonate
CID 67432728
4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid
CID 58064799
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
[5-(3-chloro-4-fluorophenyl)-4-(3-chloro-5-fluorophenyl)furan-2-yl] hydrogen carbonate
CID 67425985
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
CID 8648003
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate
CID 90340996
ethyl 5-(4-fluorophenyl)-4-phenylthiophene-2-carboxylate
CID 131954949
diethyl 2-[4-(3-chlorophenyl)-2,5-dimethylphenyl]propanedioate
CID 23381831
ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate
CID 101498227

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate?
The IUPAC name of [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate (CID 67426220) is [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate.
What is the SMILES notation for [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate?
The canonical SMILES for [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate is CCOC(=O)Oc1cc(-c2cccc(Cl)c2)c(-c2ccc(F)cc2)o1.
What is the InChIKey of [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate?
The InChIKey is YFMFOMGFUCQFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO4/c1-2-23-19(22)25-17-11-16(13-4-3-5-14(20)10-13)18(24-17)12-6-8-15(21)9-7-12/h3-11H,2H2,1H3.
What are the key properties of [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate?
[4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate has a molecular weight of 360.77 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate is sourced from PubChem (CID 67426220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).