[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine

C11H15F3N2O — CID 103151788

IUPAC[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)c1cccc(F)c1
InChIInChI=1S/C11H15F3N2O/c12-9-3-1-2-8(6-9)10(16-15)4-5-17-7-11(13)14/h1-3,6,10-11,16H,4-5,7,15H2
InChIKeyXPCXGINSQDYKDU-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.00
Rot. Bonds7

About [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine

[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine (PubChem CID 103151788) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
PubChem CID103151788
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)c1cccc(F)c1
InChIInChI=1S/C11H15F3N2O/c12-9-3-1-2-8(6-9)10(16-15)4-5-17-7-11(13)14/h1-3,6,10-11,16H,4-5,7,15H2
InChIKeyXPCXGINSQDYKDU-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.00
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-chlorophenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103151942
[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 103151840
3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
CID 103147844
[1-(2-chloro-5-fluorophenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103152085
2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
[3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine
CID 103151989
[3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 103151844
[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 103151752
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
[1-(4-cyclopropyloxyphenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103151965
[1-(3-fluorophenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105285501
[1-(3-methylphenyl)-3-propoxypropyl]hydrazine
CID 105284873

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine (CID 103151788) is [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine is NNC(CCOCC(F)F)c1cccc(F)c1.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine?
The InChIKey is XPCXGINSQDYKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-9-3-1-2-8(6-9)10(16-15)4-5-17-7-11(13)14/h1-3,6,10-11,16H,4-5,7,15H2.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine?
[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine has a molecular weight of 248.25 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine is sourced from PubChem (CID 103151788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).