5-[(3-fluorophenyl)methylamino]furan-3-one

C11H10FNO2 — CID 175280624

IUPAC5-[(3-fluorophenyl)methylamino]furan-3-one
SMILESO=C1C=C(NCc2cccc(F)c2)OC1
InChIInChI=1S/C11H10FNO2/c12-9-3-1-2-8(4-9)6-13-11-5-10(14)7-15-11/h1-5,13H,6-7H2
InChIKeyKGMRTPADQNHPKN-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.36
Rot. Bonds3

About 5-[(3-fluorophenyl)methylamino]furan-3-one

5-[(3-fluorophenyl)methylamino]furan-3-one (PubChem CID 175280624) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylamino]furan-3-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylamino]furan-3-one
PubChem CID175280624
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name5-[(3-fluorophenyl)methylamino]furan-3-one
SMILESO=C1C=C(NCc2cccc(F)c2)OC1
InChIInChI=1S/C11H10FNO2/c12-9-3-1-2-8(4-9)6-13-11-5-10(14)7-15-11/h1-5,13H,6-7H2
InChIKeyKGMRTPADQNHPKN-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylamino]furan-3-one?
The IUPAC name of 5-[(3-fluorophenyl)methylamino]furan-3-one (CID 175280624) is 5-[(3-fluorophenyl)methylamino]furan-3-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methylamino]furan-3-one?
The canonical SMILES for 5-[(3-fluorophenyl)methylamino]furan-3-one is O=C1C=C(NCc2cccc(F)c2)OC1.
What is the InChIKey of 5-[(3-fluorophenyl)methylamino]furan-3-one?
The InChIKey is KGMRTPADQNHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-9-3-1-2-8(4-9)6-13-11-5-10(14)7-15-11/h1-5,13H,6-7H2.
What are the key properties of 5-[(3-fluorophenyl)methylamino]furan-3-one?
5-[(3-fluorophenyl)methylamino]furan-3-one has a molecular weight of 207.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylamino]furan-3-one is sourced from PubChem (CID 175280624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).