1-(3-fluorophenoxy)propan-2-ylhydrazine

C9H13FN2O — CID 82280988

IUPAC1-(3-fluorophenoxy)propan-2-ylhydrazine
SMILESCC(COc1cccc(F)c1)NN
InChIInChI=1S/C9H13FN2O/c1-7(12-11)6-13-9-4-2-3-8(10)5-9/h2-5,7,12H,6,11H2,1H3
InChIKeyNVKWIBSKLGEJKE-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.06
Rot. Bonds4

About 1-(3-fluorophenoxy)propan-2-ylhydrazine

1-(3-fluorophenoxy)propan-2-ylhydrazine (PubChem CID 82280988) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-(3-fluorophenoxy)propan-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-fluorophenoxy)propan-2-ylhydrazine
PubChem CID82280988
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-(3-fluorophenoxy)propan-2-ylhydrazine
SMILESCC(COc1cccc(F)c1)NN
InChIInChI=1S/C9H13FN2O/c1-7(12-11)6-13-9-4-2-3-8(10)5-9/h2-5,7,12H,6,11H2,1H3
InChIKeyNVKWIBSKLGEJKE-UHFFFAOYSA-N
XLogP1.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenoxy)propan-2-ylhydrazine?
The IUPAC name of 1-(3-fluorophenoxy)propan-2-ylhydrazine (CID 82280988) is 1-(3-fluorophenoxy)propan-2-ylhydrazine.
What is the SMILES notation for 1-(3-fluorophenoxy)propan-2-ylhydrazine?
The canonical SMILES for 1-(3-fluorophenoxy)propan-2-ylhydrazine is CC(COc1cccc(F)c1)NN.
What is the InChIKey of 1-(3-fluorophenoxy)propan-2-ylhydrazine?
The InChIKey is NVKWIBSKLGEJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(12-11)6-13-9-4-2-3-8(10)5-9/h2-5,7,12H,6,11H2,1H3.
What are the key properties of 1-(3-fluorophenoxy)propan-2-ylhydrazine?
1-(3-fluorophenoxy)propan-2-ylhydrazine has a molecular weight of 184.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenoxy)propan-2-ylhydrazine is sourced from PubChem (CID 82280988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).