4-(4-fluoroanilino)-8-methylchromen-2-one

C16H12FNO2 — CID 10945473

IUPAC4-(4-fluoroanilino)-8-methylchromen-2-one
SMILESCc1cccc2c(Nc3ccc(F)cc3)cc(=O)oc12
InChIInChI=1S/C16H12FNO2/c1-10-3-2-4-13-14(9-15(19)20-16(10)13)18-12-7-5-11(17)6-8-12/h2-9,18H,1H3
InChIKeyRPEAQKHJOFPQHN-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.98
Rot. Bonds2

About 4-(4-fluoroanilino)-8-methylchromen-2-one

4-(4-fluoroanilino)-8-methylchromen-2-one (PubChem CID 10945473) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-8-methylchromen-2-one.

Molecular Properties

Compound Name4-(4-fluoroanilino)-8-methylchromen-2-one
PubChem CID10945473
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name4-(4-fluoroanilino)-8-methylchromen-2-one
SMILESCc1cccc2c(Nc3ccc(F)cc3)cc(=O)oc12
InChIInChI=1S/C16H12FNO2/c1-10-3-2-4-13-14(9-15(19)20-16(10)13)18-12-7-5-11(17)6-8-12/h2-9,18H,1H3
InChIKeyRPEAQKHJOFPQHN-UHFFFAOYSA-N
XLogP3.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-8-methylchromen-2-one?
The IUPAC name of 4-(4-fluoroanilino)-8-methylchromen-2-one (CID 10945473) is 4-(4-fluoroanilino)-8-methylchromen-2-one.
What is the SMILES notation for 4-(4-fluoroanilino)-8-methylchromen-2-one?
The canonical SMILES for 4-(4-fluoroanilino)-8-methylchromen-2-one is Cc1cccc2c(Nc3ccc(F)cc3)cc(=O)oc12.
What is the InChIKey of 4-(4-fluoroanilino)-8-methylchromen-2-one?
The InChIKey is RPEAQKHJOFPQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-10-3-2-4-13-14(9-15(19)20-16(10)13)18-12-7-5-11(17)6-8-12/h2-9,18H,1H3.
What are the key properties of 4-(4-fluoroanilino)-8-methylchromen-2-one?
4-(4-fluoroanilino)-8-methylchromen-2-one has a molecular weight of 269.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-8-methylchromen-2-one is sourced from PubChem (CID 10945473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).