6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide

C11H7F4N3O — CID 53487060

IUPAC6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide
SMILESNNC(=O)c1cc(C(F)(F)F)c2cc(F)ccc2n1
InChIInChI=1S/C11H7F4N3O/c12-5-1-2-8-6(3-5)7(11(13,14)15)4-9(17-8)10(19)18-16/h1-4H,16H2,(H,18,19)
InChIKeyXBVDXXKPVAVWLE-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.00
Rot. Bonds1

About 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide

6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide (PubChem CID 53487060) has the molecular formula C11H7F4N3O and a molecular weight of 273.19 g/mol. Its IUPAC name is 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound Name6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide
PubChem CID53487060
Molecular FormulaC11H7F4N3O
Molecular Weight273.19 g/mol
Exact Mass273.05
IUPAC Name6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide
SMILESNNC(=O)c1cc(C(F)(F)F)c2cc(F)ccc2n1
InChIInChI=1S/C11H7F4N3O/c12-5-1-2-8-6(3-5)7(11(13,14)15)4-9(17-8)10(19)18-16/h1-4H,16H2,(H,18,19)
InChIKeyXBVDXXKPVAVWLE-UHFFFAOYSA-N
XLogP2.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-hydroxy-4-methylquinoline-2-carboxamide
CID 82574415
4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 50850273
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
6-fluoroquinoline-3-carbohydrazide
CID 119026646
N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide
CID 175901637
2-ethoxycarbonyl-6-fluoroquinolin-4-olate
CID 51421181
O-ethyl 6-chloro-4-(trifluoromethyl)quinoline-2-carboselenoate
CID 168966852
2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 89488133
2-(3-ethyl-6-fluoro-4-oxoquinazolin-2-yl)sulfanyl-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 166365948
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035
2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide
CID 170622715
7-fluoroimidazo[1,2-a]pyridine-2-carbohydrazide
CID 162421007

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide?
The IUPAC name of 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide (CID 53487060) is 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide.
What is the SMILES notation for 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide?
The canonical SMILES for 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide is NNC(=O)c1cc(C(F)(F)F)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide?
The InChIKey is XBVDXXKPVAVWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3O/c12-5-1-2-8-6(3-5)7(11(13,14)15)4-9(17-8)10(19)18-16/h1-4H,16H2,(H,18,19).
What are the key properties of 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide?
6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide has a molecular weight of 273.19 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 53487060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).