[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

C12H21F3N2O — CID 106649724

IUPAC[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESNNC(COCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-18-8-11(17-16)10-6-4-2-1-3-5-7-10/h6,11,17H,1-5,7-9,16H2
InChIKeyLAOQJWOYQQJOQX-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.68
Rot. Bonds5

About [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (PubChem CID 106649724) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
PubChem CID106649724
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESNNC(COCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-18-8-11(17-16)10-6-4-2-1-3-5-7-10/h6,11,17H,1-5,7-9,16H2
InChIKeyLAOQJWOYQQJOQX-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(Cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207518
[1-(Cyclohexen-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649701
[1-(Cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649702
[1-(Cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649703
[1-(Cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 106649705
[1-(Cycloocten-1-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 106649706
[1-(Cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 106649707
[1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106649723
[1-(Cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106649725
[1-(Cyclohexen-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 106649727
[1-(Cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 106649728

Frequently Asked Questions

What is the IUPAC name of [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The IUPAC name of [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (CID 106649724) is [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.
What is the SMILES notation for [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The canonical SMILES for [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is NNC(COCC(F)(F)F)C1=CCCCCCC1.
What is the InChIKey of [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The InChIKey is LAOQJWOYQQJOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)9-18-8-11(17-16)10-6-4-2-1-3-5-7-10/h6,11,17H,1-5,7-9,16H2.
What are the key properties of [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine has a molecular weight of 266.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is sourced from PubChem (CID 106649724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).