prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate

C14H10BrFO3 — CID 95910395

IUPACprop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate
SMILESC=CCOC(=O)c1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C14H10BrFO3/c1-2-7-18-14(17)13-6-5-12(19-13)10-4-3-9(15)8-11(10)16/h2-6,8H,1,7H2
InChIKeyOCPNYPABYVYUMK-UHFFFAOYSA-N
MW325.13 g/mol
LogP4.19
Rot. Bonds4

About prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate

prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate (PubChem CID 95910395) has the molecular formula C14H10BrFO3 and a molecular weight of 325.13 g/mol. Its IUPAC name is prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate
PubChem CID95910395
Molecular FormulaC14H10BrFO3
Molecular Weight325.13 g/mol
Exact Mass323.98
IUPAC Nameprop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate
SMILESC=CCOC(=O)c1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C14H10BrFO3/c1-2-7-18-14(17)13-6-5-12(19-13)10-4-3-9(15)8-11(10)16/h2-6,8H,1,7H2
InChIKeyOCPNYPABYVYUMK-UHFFFAOYSA-N
XLogP4.19
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 5-(4-bromo-2-nitrophenyl)furan-2-carboxylate
CID 91674178
3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide
CID 53395708
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400
[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine
CID 43363465
[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanol
CID 28693697
N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide
CID 100816699
methyl 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 170871893
(4-bromo-2-fluorophenyl)methyl 5-nitrofuran-2-carboxylate
CID 9454837
(4-bromo-2-fluorophenyl) 5-bromofuran-2-carboxylate
CID 16551440
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
prop-2-enyl 4-(4-bromophenyl)benzoate
CID 67763944
2-methylsulfanylethyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 78832390

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate?
The IUPAC name of prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate (CID 95910395) is prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate is C=CCOC(=O)c1ccc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate?
The InChIKey is OCPNYPABYVYUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3/c1-2-7-18-14(17)13-6-5-12(19-13)10-4-3-9(15)8-11(10)16/h2-6,8H,1,7H2.
What are the key properties of prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate?
prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate has a molecular weight of 325.13 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-(4-bromo-2-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 95910395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).