7-hydrazinyl-4-(trifluoromethyl)chromen-2-one

C10H7F3N2O2 — CID 53404250

IUPAC7-hydrazinyl-4-(trifluoromethyl)chromen-2-one
SMILESNNc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)7-4-9(16)17-8-3-5(15-14)1-2-6(7)8/h1-4,15H,14H2
InChIKeyLSZSPQJBXXMWPD-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.10
Rot. Bonds1

About 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one

7-hydrazinyl-4-(trifluoromethyl)chromen-2-one (PubChem CID 53404250) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-hydrazinyl-4-(trifluoromethyl)chromen-2-one
PubChem CID53404250
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name7-hydrazinyl-4-(trifluoromethyl)chromen-2-one
SMILESNNc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)7-4-9(16)17-8-3-5(15-14)1-2-6(7)8/h1-4,15H,14H2
InChIKeyLSZSPQJBXXMWPD-UHFFFAOYSA-N
XLogP2.10
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]azanium chloride
CID 163754660
7-(2-bromoethylamino)-4-(trifluoromethyl)chromen-2-one
CID 101175054
7-(trichloromethyl)-4-(trifluoromethyl)chromen-2-one
CID 90255871
2,2-dimethyl-5-[[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]methylidene]-1,3-dioxane-4,6-dione
CID 168536916
1-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19680241
diethyl 2-[[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]methylidene]propanedioate
CID 10572990
7-ethynyl-4-(trifluoromethyl)chromen-2-one
CID 87898812
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
7-pyrrolidin-1-yl-4-(trifluoromethyl)chromen-2-one
CID 168512154
N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]octanamide
CID 89057127
7-(azulen-1-ylmethylamino)-4-(trifluoromethyl)chromen-2-one
CID 101018477
(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide
CID 2492080

Frequently Asked Questions

What is the IUPAC name of 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one (CID 53404250) is 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one is NNc1ccc2c(C(F)(F)F)cc(=O)oc2c1.
What is the InChIKey of 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one?
The InChIKey is LSZSPQJBXXMWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)7-4-9(16)17-8-3-5(15-14)1-2-6(7)8/h1-4,15H,14H2.
What are the key properties of 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one?
7-hydrazinyl-4-(trifluoromethyl)chromen-2-one has a molecular weight of 244.17 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydrazinyl-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 53404250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).