7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one

C17H10F3NO3 — CID 630507

IUPAC7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(/N=C/c3ccccc3O)cc2o1
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)13-8-16(23)24-15-7-11(5-6-12(13)15)21-9-10-3-1-2-4-14(10)22/h1-9,22H/b21-9+
InChIKeyLDLCEBCEYWLLCV-ZVBGSRNCSA-N
MW333.27 g/mol
LogP4.27
Rot. Bonds2

About 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one

7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one (PubChem CID 630507) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one
PubChem CID630507
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(/N=C/c3ccccc3O)cc2o1
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)13-8-16(23)24-15-7-11(5-6-12(13)15)21-9-10-3-1-2-4-14(10)22/h1-9,22H/b21-9+
InChIKeyLDLCEBCEYWLLCV-ZVBGSRNCSA-N
XLogP4.27
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one (CID 630507) is 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one is O=c1cc(C(F)(F)F)c2ccc(/N=C/c3ccccc3O)cc2o1.
What is the InChIKey of 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one?
The InChIKey is LDLCEBCEYWLLCV-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)13-8-16(23)24-15-7-11(5-6-12(13)15)21-9-10-3-1-2-4-14(10)22/h1-9,22H/b21-9+.
What are the key properties of 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one?
7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one has a molecular weight of 333.27 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 630507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).