7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one

C13H11F3N2O2 — CID 162482728

IUPAC7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one
SMILESCC/C=N\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C13H11F3N2O2/c1-2-5-17-18-8-3-4-9-10(13(14,15)16)7-12(19)20-11(9)6-8/h3-7,18H,2H2,1H3/b17-5-
InChIKeyKSXJFGZAFKKFQN-ZWSORDCHSA-N
MW284.24 g/mol
LogP3.62
Rot. Bonds3

About 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one

7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one (PubChem CID 162482728) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one
PubChem CID162482728
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one
SMILESCC/C=N\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C13H11F3N2O2/c1-2-5-17-18-8-3-4-9-10(13(14,15)16)7-12(19)20-11(9)6-8/h3-7,18H,2H2,1H3/b17-5-
InChIKeyKSXJFGZAFKKFQN-ZWSORDCHSA-N
XLogP3.62
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.62
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one (CID 162482728) is 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one is CC/C=N\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1.
What is the InChIKey of 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one?
The InChIKey is KSXJFGZAFKKFQN-ZWSORDCHSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-2-5-17-18-8-3-4-9-10(13(14,15)16)7-12(19)20-11(9)6-8/h3-7,18H,2H2,1H3/b17-5-.
What are the key properties of 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one?
7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one has a molecular weight of 284.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2Z)-2-propylidenehydrazinyl]-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 162482728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).