ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate

C14H10BrF3O3 — CID 91654866

IUPACethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Br)cc2)oc1C(F)(F)F
InChIInChI=1S/C14H10BrF3O3/c1-2-20-13(19)10-7-11(21-12(10)14(16,17)18)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3
InChIKeyQVEIXIQUFIKUNE-UHFFFAOYSA-N
MW363.13 g/mol
LogP4.90
Rot. Bonds3

About ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate

ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate (PubChem CID 91654866) has the molecular formula C14H10BrF3O3 and a molecular weight of 363.13 g/mol. Its IUPAC name is ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate
PubChem CID91654866
Molecular FormulaC14H10BrF3O3
Molecular Weight363.13 g/mol
Exact Mass361.98
IUPAC Nameethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Br)cc2)oc1C(F)(F)F
InChIInChI=1S/C14H10BrF3O3/c1-2-20-13(19)10-7-11(21-12(10)14(16,17)18)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3
InChIKeyQVEIXIQUFIKUNE-UHFFFAOYSA-N
XLogP4.90
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate?
The IUPAC name of ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate (CID 91654866) is ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate?
The canonical SMILES for ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate is CCOC(=O)c1cc(-c2ccc(Br)cc2)oc1C(F)(F)F.
What is the InChIKey of ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate?
The InChIKey is QVEIXIQUFIKUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O3/c1-2-20-13(19)10-7-11(21-12(10)14(16,17)18)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate?
ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate has a molecular weight of 363.13 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate is sourced from PubChem (CID 91654866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).