N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide

C15H12F4N2O2 — CID 22142147

IUPACN'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide
SMILESCC(=O)NNc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H12F4N2O2/c1-9(22)20-21-11-5-6-14(13(16)8-11)23-12-4-2-3-10(7-12)15(17,18)19/h2-8,21H,1H3,(H,20,22)
InChIKeyIQBWBWKDBIMXAW-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.10
Rot. Bonds4

About N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide

N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide (PubChem CID 22142147) has the molecular formula C15H12F4N2O2 and a molecular weight of 328.27 g/mol. Its IUPAC name is N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide
PubChem CID22142147
Molecular FormulaC15H12F4N2O2
Molecular Weight328.27 g/mol
Exact Mass328.08
IUPAC NameN'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide
SMILESCC(=O)NNc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H12F4N2O2/c1-9(22)20-21-11-5-6-14(13(16)8-11)23-12-4-2-3-10(7-12)15(17,18)19/h2-8,21H,1H3,(H,20,22)
InChIKeyIQBWBWKDBIMXAW-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide?
The IUPAC name of N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide (CID 22142147) is N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide.
What is the SMILES notation for N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide?
The canonical SMILES for N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide is CC(=O)NNc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide?
The InChIKey is IQBWBWKDBIMXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O2/c1-9(22)20-21-11-5-6-14(13(16)8-11)23-12-4-2-3-10(7-12)15(17,18)19/h2-8,21H,1H3,(H,20,22).
What are the key properties of N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide?
N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide has a molecular weight of 328.27 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetohydrazide is sourced from PubChem (CID 22142147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).