1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine

C18H24F6N2O2 — CID 91247067

IUPAC1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine
SMILESFC(F)(F)CCCOc1cc(CNNC2CC2)cc(OCCCC(F)(F)F)c1
InChIInChI=1S/C18H24F6N2O2/c19-17(20,21)5-1-7-27-15-9-13(12-25-26-14-3-4-14)10-16(11-15)28-8-2-6-18(22,23)24/h9-11,14,25-26H,1-8,12H2
InChIKeyHXGZOYRROVYBIE-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.89
Rot. Bonds12

About 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine

1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine (PubChem CID 91247067) has the molecular formula C18H24F6N2O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine.

Molecular Properties

Compound Name1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine
PubChem CID91247067
Molecular FormulaC18H24F6N2O2
Molecular Weight414.39 g/mol
Exact Mass414.17
IUPAC Name1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine
SMILESFC(F)(F)CCCOc1cc(CNNC2CC2)cc(OCCCC(F)(F)F)c1
InChIInChI=1S/C18H24F6N2O2/c19-17(20,21)5-1-7-27-15-9-13(12-25-26-14-3-4-14)10-16(11-15)28-8-2-6-18(22,23)24/h9-11,14,25-26H,1-8,12H2
InChIKeyHXGZOYRROVYBIE-UHFFFAOYSA-N
XLogP4.89
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine?
The IUPAC name of 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine (CID 91247067) is 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine.
What is the SMILES notation for 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine?
The canonical SMILES for 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine is FC(F)(F)CCCOc1cc(CNNC2CC2)cc(OCCCC(F)(F)F)c1.
What is the InChIKey of 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine?
The InChIKey is HXGZOYRROVYBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F6N2O2/c19-17(20,21)5-1-7-27-15-9-13(12-25-26-14-3-4-14)10-16(11-15)28-8-2-6-18(22,23)24/h9-11,14,25-26H,1-8,12H2.
What are the key properties of 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine?
1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine has a molecular weight of 414.39 g/mol, XLogP of 4.89, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(4,4,4-trifluorobutoxy)phenyl]methyl]-2-cyclopropylhydrazine is sourced from PubChem (CID 91247067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).