7-amino-4-(fluoromethyl)chromen-2-one

C10H8FNO2 — CID 18926700

IUPAC7-amino-4-(fluoromethyl)chromen-2-one
SMILESNc1ccc2c(CF)cc(=O)oc2c1
InChIInChI=1S/C10H8FNO2/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4H,5,12H2
InChIKeyRABNBNZKOCDSPF-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.84
Rot. Bonds1

About 7-amino-4-(fluoromethyl)chromen-2-one

7-amino-4-(fluoromethyl)chromen-2-one (PubChem CID 18926700) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-amino-4-(fluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-amino-4-(fluoromethyl)chromen-2-one
PubChem CID18926700
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name7-amino-4-(fluoromethyl)chromen-2-one
SMILESNc1ccc2c(CF)cc(=O)oc2c1
InChIInChI=1S/C10H8FNO2/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4H,5,12H2
InChIKeyRABNBNZKOCDSPF-UHFFFAOYSA-N
XLogP1.84
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(fluoromethyl)chromen-2-one?
The IUPAC name of 7-amino-4-(fluoromethyl)chromen-2-one (CID 18926700) is 7-amino-4-(fluoromethyl)chromen-2-one.
What is the SMILES notation for 7-amino-4-(fluoromethyl)chromen-2-one?
The canonical SMILES for 7-amino-4-(fluoromethyl)chromen-2-one is Nc1ccc2c(CF)cc(=O)oc2c1.
What is the InChIKey of 7-amino-4-(fluoromethyl)chromen-2-one?
The InChIKey is RABNBNZKOCDSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4H,5,12H2.
What are the key properties of 7-amino-4-(fluoromethyl)chromen-2-one?
7-amino-4-(fluoromethyl)chromen-2-one has a molecular weight of 193.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(fluoromethyl)chromen-2-one is sourced from PubChem (CID 18926700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).