hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate

C10H11F3N2O3 — CID 66337646

IUPAChydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate
SMILESNNOC(=O)CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)7-3-1-2-4-8(7)17-6-5-9(16)18-15-14/h1-4,15H,5-6,14H2
InChIKeyZPFHWVPVXPOEBV-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.40
Rot. Bonds5

About hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate

hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate (PubChem CID 66337646) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate
PubChem CID66337646
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Namehydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate
SMILESNNOC(=O)CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)7-3-1-2-4-8(7)17-6-5-9(16)18-15-14/h1-4,15H,5-6,14H2
InChIKeyZPFHWVPVXPOEBV-UHFFFAOYSA-N
XLogP1.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 43365238
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide
CID 69274934
4-[2-(trifluoromethyl)phenoxy]butanimidamide
CID 24702923
2,2,2-trifluoroethoxymethyl 3-(2-aminophenoxy)propanoate
CID 106705762
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride
CID 69274933
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
5-[2-(trifluoromethyl)phenoxy]pentanimidamide
CID 54965748
hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
CID 114677081
hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate
CID 66339484
2-amino-2-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778089
1-O-(2-methylphenyl) 3-O-[2-(trifluoromethyl)phenyl] propanedioate
CID 90195229

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate?
The IUPAC name of hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate (CID 66337646) is hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate.
What is the SMILES notation for hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate?
The canonical SMILES for hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate is NNOC(=O)CCOc1ccccc1C(F)(F)F.
What is the InChIKey of hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate?
The InChIKey is ZPFHWVPVXPOEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)7-3-1-2-4-8(7)17-6-5-9(16)18-15-14/h1-4,15H,5-6,14H2.
What are the key properties of hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate?
hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate has a molecular weight of 264.20 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate is sourced from PubChem (CID 66337646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).