[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine

C11H17F2N3O — CID 103151752

IUPAC[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine
SMILESCc1cncc(C(CCOCC(F)F)NN)c1
InChIInChI=1S/C11H17F2N3O/c1-8-4-9(6-15-5-8)10(16-14)2-3-17-7-11(12)13/h4-6,10-11,16H,2-3,7,14H2,1H3
InChIKeyLIQCWYSBVYAYJS-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.57
Rot. Bonds7

About [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine

[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine (PubChem CID 103151752) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine
PubChem CID103151752
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine
SMILESCc1cncc(C(CCOCC(F)F)NN)c1
InChIInChI=1S/C11H17F2N3O/c1-8-4-9(6-15-5-8)10(16-14)2-3-17-7-11(12)13/h4-6,10-11,16H,2-3,7,14H2,1H3
InChIKeyLIQCWYSBVYAYJS-UHFFFAOYSA-N
XLogP1.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3-ethoxy-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 105328621
[1-(5-methyl-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477544
1-(5-methyl-3-pyridinyl)pentylhydrazine
CID 105245659
2-hydrazinyl-N,N-dimethyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 105244710
[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
CID 103151788
[1-(5-fluoro-3-pyridinyl)-3-methoxypropyl]hydrazine
CID 105206466
[1-(3-chlorophenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103151942
[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 103151840
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427
3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 103148933
3-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)propan-1-ol
CID 103147761
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine (CID 103151752) is [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine is Cc1cncc(C(CCOCC(F)F)NN)c1.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine?
The InChIKey is LIQCWYSBVYAYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-8-4-9(6-15-5-8)10(16-14)2-3-17-7-11(12)13/h4-6,10-11,16H,2-3,7,14H2,1H3.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine?
[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine has a molecular weight of 245.27 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine is sourced from PubChem (CID 103151752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).