5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol

C14H15ClFNO2 — CID 54451552

IUPAC5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol
SMILESCCCCc1oc(N)c(-c2cccc(F)c2Cl)c1O
InChIInChI=1S/C14H15ClFNO2/c1-2-3-7-10-13(18)11(14(17)19-10)8-5-4-6-9(16)12(8)15/h4-6,18H,2-3,7,17H2,1H3
InChIKeyWVIFTWOFMUHNCT-UHFFFAOYSA-N
MW283.73 g/mol
LogP4.37
Rot. Bonds4

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

5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol (PubChem CID 54451552) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol.

Molecular Properties

Compound Name5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol
PubChem CID54451552
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol
SMILESCCCCc1oc(N)c(-c2cccc(F)c2Cl)c1O
InChIInChI=1S/C14H15ClFNO2/c1-2-3-7-10-13(18)11(14(17)19-10)8-5-4-6-9(16)12(8)15/h4-6,18H,2-3,7,17H2,1H3
InChIKeyWVIFTWOFMUHNCT-UHFFFAOYSA-N
XLogP4.37
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol?
The IUPAC name of 5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol (CID 54451552) is 5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol.
What is the SMILES notation for 5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol?
The canonical SMILES for 5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol is CCCCc1oc(N)c(-c2cccc(F)c2Cl)c1O.
What is the InChIKey of 5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol?
The InChIKey is WVIFTWOFMUHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c1-2-3-7-10-13(18)11(14(17)19-10)8-5-4-6-9(16)12(8)15/h4-6,18H,2-3,7,17H2,1H3.
What are the key properties of 5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol?
5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol has a molecular weight of 283.73 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol is sourced from PubChem (CID 54451552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).