methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate

C24H17F3O3 — CID 102335749

IUPACmethyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)oc(Cc2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C24H17F3O3/c1-29-23(28)21-20(16-9-3-2-4-10-16)19(30-22(21)24(25,26)27)14-17-12-7-11-15-8-5-6-13-18(15)17/h2-13H,14H2,1H3
InChIKeyPOUMPEIAGLWPOP-UHFFFAOYSA-N
MW410.39 g/mol
LogP6.50
Rot. Bonds4

About methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate

methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate (PubChem CID 102335749) has the molecular formula C24H17F3O3 and a molecular weight of 410.39 g/mol. Its IUPAC name is methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate
PubChem CID102335749
Molecular FormulaC24H17F3O3
Molecular Weight410.39 g/mol
Exact Mass410.11
IUPAC Namemethyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)oc(Cc2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C24H17F3O3/c1-29-23(28)21-20(16-9-3-2-4-10-16)19(30-22(21)24(25,26)27)14-17-12-7-11-15-8-5-6-13-18(15)17/h2-13H,14H2,1H3
InChIKeyPOUMPEIAGLWPOP-UHFFFAOYSA-N
XLogP6.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.39
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-8-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 16732106
5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619454
methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504
methyl 4-phenyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 56929995
methyl 4,9-dihydroxy-2-(trifluoromethyl)-4,9-dihydrobenzo[f][1]benzofuran-3-carboxylate
CID 141462761
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543
methyl (2R,3R)-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-8-[4-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 16732215
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
dimethyl 1-oxoisochromene-3,4-dicarboxylate
CID 642350
methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 68756461
3-methoxy-5-methoxycarbonyl-4-phenylfuran-2-carboxylic acid
CID 58657035
methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate
CID 8764296

Frequently Asked Questions

What is the IUPAC name of methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate?
The IUPAC name of methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate (CID 102335749) is methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate.
What is the SMILES notation for methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate?
The canonical SMILES for methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate is COC(=O)c1c(C(F)(F)F)oc(Cc2cccc3ccccc23)c1-c1ccccc1.
What is the InChIKey of methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate?
The InChIKey is POUMPEIAGLWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3O3/c1-29-23(28)21-20(16-9-3-2-4-10-16)19(30-22(21)24(25,26)27)14-17-12-7-11-15-8-5-6-13-18(15)17/h2-13H,14H2,1H3.
What are the key properties of methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate?
methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate has a molecular weight of 410.39 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(naphthalen-1-ylmethyl)-4-phenyl-2-(trifluoromethyl)furan-3-carboxylate is sourced from PubChem (CID 102335749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).