5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate

C19H11ClF3O4- — CID 59845812

IUPAC5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2c(F)cc(F)cc2F)o1
InChIInChI=1S/C19H12ClF3O4/c20-11-1-3-17(26-9-14-15(22)7-12(21)8-16(14)23)10(5-11)6-13-2-4-18(27-13)19(24)25/h1-5,7-8H,6,9H2,(H,24,25)/p-1
InChIKeyHNDOKLIUWAIWKH-UHFFFAOYSA-M
MW395.74 g/mol
LogP3.88
Rot. Bonds6

About 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate

5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate (PubChem CID 59845812) has the molecular formula C19H11ClF3O4- and a molecular weight of 395.74 g/mol. Its IUPAC name is 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
PubChem CID59845812
Molecular FormulaC19H11ClF3O4-
Molecular Weight395.74 g/mol
Exact Mass395.03
IUPAC Name5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2c(F)cc(F)cc2F)o1
InChIInChI=1S/C19H12ClF3O4/c20-11-1-3-17(26-9-14-15(22)7-12(21)8-16(14)23)10(5-11)6-13-2-4-18(27-13)19(24)25/h1-5,7-8H,6,9H2,(H,24,25)/p-1
InChIKeyHNDOKLIUWAIWKH-UHFFFAOYSA-M
XLogP3.88
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.74
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667794
sodium 5-[[5-chloro-2-[(3,4,5-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667798
sodium 6-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23690263
methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 143316139
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 15605179
5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide
CID 15605379
5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
CID 15604735
N-tert-butyl-5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 15605115
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
sodium 5-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate
CID 23686962
5-[(2-butoxy-5-chlorophenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 71051932
[4-chloro-2-[[5-[(2,6-difluorophenyl)carbamoyl]furan-2-yl]methyl]phenyl] acetate
CID 59845829

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
The IUPAC name of 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate (CID 59845812) is 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate.
What is the SMILES notation for 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
The canonical SMILES for 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate is O=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2c(F)cc(F)cc2F)o1.
What is the InChIKey of 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
The InChIKey is HNDOKLIUWAIWKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H12ClF3O4/c20-11-1-3-17(26-9-14-15(22)7-12(21)8-16(14)23)10(5-11)6-13-2-4-18(27-13)19(24)25/h1-5,7-8H,6,9H2,(H,24,25)/p-1.
What are the key properties of 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate has a molecular weight of 395.74 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate is sourced from PubChem (CID 59845812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).