2-(4-butylphenoxy)-2,2-difluoroacetohydrazide

C12H16F2N2O2 — CID 115493486

IUPAC2-(4-butylphenoxy)-2,2-difluoroacetohydrazide
SMILESCCCCc1ccc(OC(F)(F)C(=O)NN)cc1
InChIInChI=1S/C12H16F2N2O2/c1-2-3-4-9-5-7-10(8-6-9)18-12(13,14)11(17)16-15/h5-8H,2-4,15H2,1H3,(H,16,17)
InChIKeyBCAYSMBSSRZODV-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.99
Rot. Bonds6

About 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide

2-(4-butylphenoxy)-2,2-difluoroacetohydrazide (PubChem CID 115493486) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-(4-butylphenoxy)-2,2-difluoroacetohydrazide
PubChem CID115493486
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-(4-butylphenoxy)-2,2-difluoroacetohydrazide
SMILESCCCCc1ccc(OC(F)(F)C(=O)NN)cc1
InChIInChI=1S/C12H16F2N2O2/c1-2-3-4-9-5-7-10(8-6-9)18-12(13,14)11(17)16-15/h5-8H,2-4,15H2,1H3,(H,16,17)
InChIKeyBCAYSMBSSRZODV-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.99
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

ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate
CID 113322624
2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide
CID 63575837
ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
CID 66453939
1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 112776801
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
1-[difluoro-(4-hexylphenoxy)methyl]-4-[difluoro-(4-pentylphenoxy)methyl]benzene
CID 70178127
1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 143474263
1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
CID 70176489

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide?
The IUPAC name of 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide (CID 115493486) is 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide is CCCCc1ccc(OC(F)(F)C(=O)NN)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide?
The InChIKey is BCAYSMBSSRZODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-2-3-4-9-5-7-10(8-6-9)18-12(13,14)11(17)16-15/h5-8H,2-4,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide?
2-(4-butylphenoxy)-2,2-difluoroacetohydrazide has a molecular weight of 258.27 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-2,2-difluoroacetohydrazide is sourced from PubChem (CID 115493486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).