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

C13H23F3N2O — CID 106649702

IUPAC[1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-9-8-12(18-17)11-6-4-2-1-3-5-7-11/h6,12,18H,1-5,7-10,17H2
InChIKeyQCVYYYPUQCNITE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.07
Rot. Bonds6

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

[1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 106649702) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is [1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID106649702
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name[1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-9-8-12(18-17)11-6-4-2-1-3-5-7-11/h6,12,18H,1-5,7-10,17H2
InChIKeyQCVYYYPUQCNITE-UHFFFAOYSA-N
XLogP3.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.07
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-yl]hydrazine
CID 103151449
[5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151481
1-(2,2,2-Trifluoroethoxy)oct-7-en-3-ylhydrazine
CID 103151682
[1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-yl]hydrazine
CID 103151769
[1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-yl]hydrazine
CID 103151798
1-(2,2-Difluoroethoxy)oct-7-en-3-ylhydrazine
CID 103152017
1-(Cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207499
1-(Cyclohexen-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207500
1-(Cyclopenten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207509
1-(Cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207510
1-(Cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207519
[1-(Cyclohexen-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649701

Frequently Asked Questions

What is the IUPAC name of [1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 106649702) is [1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)C1=CCCCCCC1.
What is the InChIKey of [1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is QCVYYYPUQCNITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-19-9-8-12(18-17)11-6-4-2-1-3-5-7-11/h6,12,18H,1-5,7-10,17H2.
What are the key properties of [1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 280.33 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 106649702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).