[1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C10H19F3N2O — CID 103151501

IUPAC[1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)(F)F)CC1CCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)7-16-5-4-9(15-14)6-8-2-1-3-8/h8-9,15H,1-7,14H2
InChIKeyBNNJCEVJDMTBMI-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.98
Rot. Bonds7

About [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151501) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151501
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)(F)F)CC1CCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)7-16-5-4-9(15-14)6-8-2-1-3-8/h8-9,15H,1-7,14H2
InChIKeyBNNJCEVJDMTBMI-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151501) is [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is NNC(CCOCC(F)(F)F)CC1CCC1.
What is the InChIKey of [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is BNNJCEVJDMTBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)7-16-5-4-9(15-14)6-8-2-1-3-8/h8-9,15H,1-7,14H2.
What are the key properties of [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 240.27 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).