5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide

C13H15F3N2O3 — CID 63576991

IUPAC5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-1-2-4-10(9)20-7-8-5-6-11(21-8)12(19)18-17/h1-4,8,11H,5-7,17H2,(H,18,19)
InChIKeyLPIUCLNKWZLHHT-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.62
Rot. Bonds4

About 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide

5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide (PubChem CID 63576991) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
PubChem CID63576991
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-1-2-4-10(9)20-7-8-5-6-11(21-8)12(19)18-17/h1-4,8,11H,5-7,17H2,(H,18,19)
InChIKeyLPIUCLNKWZLHHT-UHFFFAOYSA-N
XLogP1.62
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63568919
(2S,5R)-5-(aminomethyl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]oxolane-2-carboxamide
CID 120790256
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
CID 63574550
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
CID 63937604
5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63574989
(2S,5R)-5-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenoxy]butyl]oxolane-2-carboxamide;hydrochloride
CID 120796477
N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine
CID 62452190

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide (CID 63576991) is 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(COc2ccccc2C(F)(F)F)O1.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide?
The InChIKey is LPIUCLNKWZLHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-1-2-4-10(9)20-7-8-5-6-11(21-8)12(19)18-17/h1-4,8,11H,5-7,17H2,(H,18,19).
What are the key properties of 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide?
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide has a molecular weight of 304.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63576991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).