[1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine

C12H23F3N2O — CID 103170729

IUPAC[1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine
SMILESCCOC1CC(CC(CCCC(F)(F)F)NN)C1
InChIInChI=1S/C12H23F3N2O/c1-2-18-11-7-9(8-11)6-10(17-16)4-3-5-12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyPJLMCQJCOMNOJP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.76
Rot. Bonds8

About [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine

[1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine (PubChem CID 103170729) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine
PubChem CID103170729
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name[1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine
SMILESCCOC1CC(CC(CCCC(F)(F)F)NN)C1
InChIInChI=1S/C12H23F3N2O/c1-2-18-11-7-9(8-11)6-10(17-16)4-3-5-12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyPJLMCQJCOMNOJP-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.76
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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Related Compounds

[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446
[1-Cyclobutyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151497
[1-Cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151501
[5-Ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine
CID 103151536
[6-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151646
[5-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151652
[1-(2,2-Difluoroethoxy)-7-methyloctan-3-yl]hydrazine
CID 103151765
[1-Cyclobutyl-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103151818
[1-Cyclobutyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
CID 103151823
[1-(2,2-Difluoroethoxy)-5-ethylnonan-3-yl]hydrazine
CID 103151857
[1-(2,2-Difluoroethoxy)-6-methylheptan-3-yl]hydrazine
CID 103151978
[1-(2,2-Difluoroethoxy)-5-methyloctan-3-yl]hydrazine
CID 103151986

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine?
The IUPAC name of [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine (CID 103170729) is [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine?
The canonical SMILES for [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine is CCOC1CC(CC(CCCC(F)(F)F)NN)C1.
What is the InChIKey of [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine?
The InChIKey is PJLMCQJCOMNOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-2-18-11-7-9(8-11)6-10(17-16)4-3-5-12(13,14)15/h9-11,17H,2-8,16H2,1H3.
What are the key properties of [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine?
[1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine has a molecular weight of 268.32 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine is sourced from PubChem (CID 103170729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).