4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol

C13H13ClFNO2 — CID 54069272

IUPAC4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol
SMILESCCc1oc(NC)c(-c2cccc(F)c2Cl)c1O
InChIInChI=1S/C13H13ClFNO2/c1-3-9-12(17)10(13(16-2)18-9)7-5-4-6-8(15)11(7)14/h4-6,16-17H,3H2,1-2H3
InChIKeyMFFTZVSJLXDCMI-UHFFFAOYSA-N
MW269.70 g/mol
LogP4.05
Rot. Bonds3

About 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol

4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol (PubChem CID 54069272) has the molecular formula C13H13ClFNO2 and a molecular weight of 269.70 g/mol. Its IUPAC name is 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol.

Molecular Properties

Compound Name4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol
PubChem CID54069272
Molecular FormulaC13H13ClFNO2
Molecular Weight269.70 g/mol
Exact Mass269.06
IUPAC Name4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol
SMILESCCc1oc(NC)c(-c2cccc(F)c2Cl)c1O
InChIInChI=1S/C13H13ClFNO2/c1-3-9-12(17)10(13(16-2)18-9)7-5-4-6-8(15)11(7)14/h4-6,16-17H,3H2,1-2H3
InChIKeyMFFTZVSJLXDCMI-UHFFFAOYSA-N
XLogP4.05
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol?
The IUPAC name of 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol (CID 54069272) is 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol.
What is the SMILES notation for 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol?
The canonical SMILES for 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol is CCc1oc(NC)c(-c2cccc(F)c2Cl)c1O.
What is the InChIKey of 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol?
The InChIKey is MFFTZVSJLXDCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO2/c1-3-9-12(17)10(13(16-2)18-9)7-5-4-6-8(15)11(7)14/h4-6,16-17H,3H2,1-2H3.
What are the key properties of 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol?
4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol has a molecular weight of 269.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol is sourced from PubChem (CID 54069272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).