3-[(4-fluorophenyl)methylideneamino]chromen-2-one

C16H10FNO2 — CID 15930943

IUPAC3-[(4-fluorophenyl)methylideneamino]chromen-2-one
SMILESO=c1oc2ccccc2cc1/N=C/c1ccc(F)cc1
InChIInChI=1S/C16H10FNO2/c17-13-7-5-11(6-8-13)10-18-14-9-12-3-1-2-4-15(12)20-16(14)19/h1-10H/b18-10+
InChIKeyPPIBUZQENRNVFH-VCHYOVAHSA-N
MW267.26 g/mol
LogP3.68
Rot. Bonds2

About 3-[(4-fluorophenyl)methylideneamino]chromen-2-one

3-[(4-fluorophenyl)methylideneamino]chromen-2-one (PubChem CID 15930943) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylideneamino]chromen-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylideneamino]chromen-2-one
PubChem CID15930943
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name3-[(4-fluorophenyl)methylideneamino]chromen-2-one
SMILESO=c1oc2ccccc2cc1/N=C/c1ccc(F)cc1
InChIInChI=1S/C16H10FNO2/c17-13-7-5-11(6-8-13)10-18-14-9-12-3-1-2-4-15(12)20-16(14)19/h1-10H/b18-10+
InChIKeyPPIBUZQENRNVFH-VCHYOVAHSA-N
XLogP3.68
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylideneamino]chromen-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methylideneamino]chromen-2-one (CID 15930943) is 3-[(4-fluorophenyl)methylideneamino]chromen-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methylideneamino]chromen-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methylideneamino]chromen-2-one is O=c1oc2ccccc2cc1/N=C/c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylideneamino]chromen-2-one?
The InChIKey is PPIBUZQENRNVFH-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-13-7-5-11(6-8-13)10-18-14-9-12-3-1-2-4-15(12)20-16(14)19/h1-10H/b18-10+.
What are the key properties of 3-[(4-fluorophenyl)methylideneamino]chromen-2-one?
3-[(4-fluorophenyl)methylideneamino]chromen-2-one has a molecular weight of 267.26 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylideneamino]chromen-2-one is sourced from PubChem (CID 15930943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).