[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride

C10H8ClF3N2O2 — CID 163754660

IUPAC[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C10H7F3N2O2.ClH/c11-10(12,13)7-4-9(16)17-8-3-5(15-14)1-2-6(7)8;/h1-4,15H,14H2;1H
InChIKeyONHCHBWFBSAFSS-UHFFFAOYSA-N
MW280.63 g/mol
LogP-1.62
Rot. Bonds1

About [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride

[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride (PubChem CID 163754660) has the molecular formula C10H8ClF3N2O2 and a molecular weight of 280.63 g/mol. Its IUPAC name is [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride.

Molecular Properties

Compound Name[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride
PubChem CID163754660
Molecular FormulaC10H8ClF3N2O2
Molecular Weight280.63 g/mol
Exact Mass280.02
IUPAC Name[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C10H7F3N2O2.ClH/c11-10(12,13)7-4-9(16)17-8-3-5(15-14)1-2-6(7)8;/h1-4,15H,14H2;1H
InChIKeyONHCHBWFBSAFSS-UHFFFAOYSA-N
XLogP-1.62
TPSA69.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.63
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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 [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride?
The IUPAC name of [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride (CID 163754660) is [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride.
What is the SMILES notation for [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride?
The canonical SMILES for [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride is [Cl-].[NH3+]Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1.
What is the InChIKey of [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride?
The InChIKey is ONHCHBWFBSAFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2.ClH/c11-10(12,13)7-4-9(16)17-8-3-5(15-14)1-2-6(7)8;/h1-4,15H,14H2;1H.
What are the key properties of [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride?
[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride has a molecular weight of 280.63 g/mol, XLogP of -1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride is sourced from PubChem (CID 163754660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).