5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol

C16H11ClFNO2 — CID 54032499

IUPAC5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol
SMILESNc1oc(-c2cccc(F)c2)c(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H11ClFNO2/c17-11-5-1-3-9(7-11)13-14(20)15(21-16(13)19)10-4-2-6-12(18)8-10/h1-8,20H,19H2
InChIKeyLGOWZEPCWLVAGP-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.69
Rot. Bonds2

About 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol

5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol (PubChem CID 54032499) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol.

Molecular Properties

Compound Name5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol
PubChem CID54032499
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol
SMILESNc1oc(-c2cccc(F)c2)c(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H11ClFNO2/c17-11-5-1-3-9(7-11)13-14(20)15(21-16(13)19)10-4-2-6-12(18)8-10/h1-8,20H,19H2
InChIKeyLGOWZEPCWLVAGP-UHFFFAOYSA-N
XLogP4.69
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol?
The IUPAC name of 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol (CID 54032499) is 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol.
What is the SMILES notation for 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol?
The canonical SMILES for 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol is Nc1oc(-c2cccc(F)c2)c(O)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol?
The InChIKey is LGOWZEPCWLVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-11-5-1-3-9(7-11)13-14(20)15(21-16(13)19)10-4-2-6-12(18)8-10/h1-8,20H,19H2.
What are the key properties of 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol?
5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol has a molecular weight of 303.72 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol is sourced from PubChem (CID 54032499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).