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

C15H21F3N2O — CID 103151448

IUPAC[1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1ccccc1C1CCC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)10-21-9-8-14(20-19)13-7-2-1-6-12(13)11-4-3-5-11/h1-2,6-7,11,14,20H,3-5,8-10,19H2
InChIKeyBDJLVCABOGSEPC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.43
Rot. Bonds7

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

[1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151448) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151448
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1ccccc1C1CCC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)10-21-9-8-14(20-19)13-7-2-1-6-12(13)11-4-3-5-11/h1-2,6-7,11,14,20H,3-5,8-10,19H2
InChIKeyBDJLVCABOGSEPC-UHFFFAOYSA-N
XLogP3.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.43
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-(2-cyclobutylphenyl)-4-methoxybutyl]hydrazine
CID 105224970
1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216454
[2-cyclobutyl-1-(2-cyclobutylphenyl)ethyl]hydrazine
CID 103170854
[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649704
[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151492
[1-(2-cyclobutylphenyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208308
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 103151641
1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146834
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232
[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103436191
[(2-cyclobutylphenyl)-(2-iodophenyl)methyl]hydrazine
CID 105341369
[1-(2-cyclobutylphenyl)-2-propylpentyl]hydrazine
CID 105341336

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151448) is [1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)c1ccccc1C1CCC1.
What is the InChIKey of [1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is BDJLVCABOGSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)10-21-9-8-14(20-19)13-7-2-1-6-12(13)11-4-3-5-11/h1-2,6-7,11,14,20H,3-5,8-10,19H2.
What are the key properties of [1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 302.34 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).