5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol

C12H11ClFNO2 — CID 54559154

IUPAC5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol
SMILESCCc1oc(N)c(-c2cccc(F)c2Cl)c1O
InChIInChI=1S/C12H11ClFNO2/c1-2-8-11(16)9(12(15)17-8)6-4-3-5-7(14)10(6)13/h3-5,16H,2,15H2,1H3
InChIKeyZPHUWEYFXDSDBD-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.59
Rot. Bonds2

About 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol

5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol (PubChem CID 54559154) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol.

Molecular Properties

Compound Name5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol
PubChem CID54559154
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol
SMILESCCc1oc(N)c(-c2cccc(F)c2Cl)c1O
InChIInChI=1S/C12H11ClFNO2/c1-2-8-11(16)9(12(15)17-8)6-4-3-5-7(14)10(6)13/h3-5,16H,2,15H2,1H3
InChIKeyZPHUWEYFXDSDBD-UHFFFAOYSA-N
XLogP3.59
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol?
The IUPAC name of 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol (CID 54559154) is 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol.
What is the SMILES notation for 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol?
The canonical SMILES for 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol is CCc1oc(N)c(-c2cccc(F)c2Cl)c1O.
What is the InChIKey of 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol?
The InChIKey is ZPHUWEYFXDSDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c1-2-8-11(16)9(12(15)17-8)6-4-3-5-7(14)10(6)13/h3-5,16H,2,15H2,1H3.
What are the key properties of 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol?
5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol has a molecular weight of 255.68 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol is sourced from PubChem (CID 54559154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).