6-[(4-fluorophenyl)methylideneamino]chromen-2-one

C16H10FNO2 — CID 155562901

IUPAC6-[(4-fluorophenyl)methylideneamino]chromen-2-one
SMILESO=c1ccc2cc(/N=C/c3ccc(F)cc3)ccc2o1
InChIInChI=1S/C16H10FNO2/c17-13-4-1-11(2-5-13)10-18-14-6-7-15-12(9-14)3-8-16(19)20-15/h1-10H/b18-10+
InChIKeyALVSUYDOTINZNT-VCHYOVAHSA-N
MW267.26 g/mol
LogP3.68
Rot. Bonds2

About 6-[(4-fluorophenyl)methylideneamino]chromen-2-one

6-[(4-fluorophenyl)methylideneamino]chromen-2-one (PubChem CID 155562901) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylideneamino]chromen-2-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylideneamino]chromen-2-one
PubChem CID155562901
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name6-[(4-fluorophenyl)methylideneamino]chromen-2-one
SMILESO=c1ccc2cc(/N=C/c3ccc(F)cc3)ccc2o1
InChIInChI=1S/C16H10FNO2/c17-13-4-1-11(2-5-13)10-18-14-6-7-15-12(9-14)3-8-16(19)20-15/h1-10H/b18-10+
InChIKeyALVSUYDOTINZNT-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 6-[(4-fluorophenyl)methylideneamino]chromen-2-one?
The IUPAC name of 6-[(4-fluorophenyl)methylideneamino]chromen-2-one (CID 155562901) is 6-[(4-fluorophenyl)methylideneamino]chromen-2-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methylideneamino]chromen-2-one?
The canonical SMILES for 6-[(4-fluorophenyl)methylideneamino]chromen-2-one is O=c1ccc2cc(/N=C/c3ccc(F)cc3)ccc2o1.
What is the InChIKey of 6-[(4-fluorophenyl)methylideneamino]chromen-2-one?
The InChIKey is ALVSUYDOTINZNT-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-13-4-1-11(2-5-13)10-18-14-6-7-15-12(9-14)3-8-16(19)20-15/h1-10H/b18-10+.
What are the key properties of 6-[(4-fluorophenyl)methylideneamino]chromen-2-one?
6-[(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 6-[(4-fluorophenyl)methylideneamino]chromen-2-one is sourced from PubChem (CID 155562901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).