2-[4-(trifluoromethyl)phenoxy]pentanehydrazide

C12H15F3N2O2 — CID 83047631

IUPAC2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
SMILESCCCC(Oc1ccc(C(F)(F)F)cc1)C(=O)NN
InChIInChI=1S/C12H15F3N2O2/c1-2-3-10(11(18)17-16)19-9-6-4-8(5-7-9)12(13,14)15/h4-7,10H,2-3,16H2,1H3,(H,17,18)
InChIKeyIJKKJMNKCLZJFL-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.24
Rot. Bonds5

About 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide

2-[4-(trifluoromethyl)phenoxy]pentanehydrazide (PubChem CID 83047631) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
PubChem CID83047631
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
SMILESCCCC(Oc1ccc(C(F)(F)F)cc1)C(=O)NN
InChIInChI=1S/C12H15F3N2O2/c1-2-3-10(11(18)17-16)19-9-6-4-8(5-7-9)12(13,14)15/h4-7,10H,2-3,16H2,1H3,(H,17,18)
InChIKeyIJKKJMNKCLZJFL-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.24
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

2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoic acid
CID 12906025
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
2-naphthalen-2-yloxypentanehydrazide
CID 54792972
ethyl (2R)-3-oxo-2-[4-(trifluoromethyl)phenoxy]butanoate
CID 98081765
2-(4-propylphenoxy)butanehydrazide
CID 63570904
3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
CID 103229408
butyl (2R)-2-[4-(trifluoromethyl)phenoxy]propanoate
CID 102301970
4-methyl-2-[4-(trifluoromethyl)phenoxy]pentanoic acid
CID 114282426
(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
CID 69455400
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
2-(3-methylsulfonylphenoxy)pentanehydrazide
CID 83048030
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide (CID 83047631) is 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide is CCCC(Oc1ccc(C(F)(F)F)cc1)C(=O)NN.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide?
The InChIKey is IJKKJMNKCLZJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-3-10(11(18)17-16)19-9-6-4-8(5-7-9)12(13,14)15/h4-7,10H,2-3,16H2,1H3,(H,17,18).
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide?
2-[4-(trifluoromethyl)phenoxy]pentanehydrazide has a molecular weight of 276.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]pentanehydrazide is sourced from PubChem (CID 83047631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).