[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C11H13F5N2O — CID 103151492

IUPAC[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1ccc(F)cc1F
InChIInChI=1S/C11H13F5N2O/c12-7-1-2-8(9(13)5-7)10(18-17)3-4-19-6-11(14,15)16/h1-2,5,10,18H,3-4,6,17H2
InChIKeyFOAXYKZPNIUYSM-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.44
Rot. Bonds6

About [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151492) has the molecular formula C11H13F5N2O and a molecular weight of 284.23 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151492
Molecular FormulaC11H13F5N2O
Molecular Weight284.23 g/mol
Exact Mass284.09
IUPAC Name[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1ccc(F)cc1F
InChIInChI=1S/C11H13F5N2O/c12-7-1-2-8(9(13)5-7)10(18-17)3-4-19-6-11(14,15)16/h1-2,5,10,18H,3-4,6,17H2
InChIKeyFOAXYKZPNIUYSM-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649704
[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026559
[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103436191
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 103151641
[1-(2-fluoro-4-methoxyphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 103397694
1-(2,4-difluorophenyl)hex-4-ynylhydrazine
CID 105216646
[1-(5-fluoro-2-methylphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929783
3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244099
1-(4-bromo-2,5-difluorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207615
[1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151448
2-(2,4-difluorophenyl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244787
1-(4-bromo-2,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207612

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151492) is [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)c1ccc(F)cc1F.
What is the InChIKey of [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is FOAXYKZPNIUYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2O/c12-7-1-2-8(9(13)5-7)10(18-17)3-4-19-6-11(14,15)16/h1-2,5,10,18H,3-4,6,17H2.
What are the key properties of [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 284.23 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).