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

C11H19F3N2O — CID 106649725

IUPAC[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESNNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-17-7-10(16-15)9-5-3-1-2-4-6-9/h5,10,16H,1-4,6-8,15H2
InChIKeyHHNUWQSYDRKDIR-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.29
Rot. Bonds5

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

[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (PubChem CID 106649725) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is [1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
PubChem CID106649725
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESNNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-17-7-10(16-15)9-5-3-1-2-4-6-9/h5,10,16H,1-4,6-8,15H2
InChIKeyHHNUWQSYDRKDIR-UHFFFAOYSA-N
XLogP2.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.29
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-propoxyethyl]hydrazine
CID 106648755
N-[1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207516
[1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106650578
1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654846
[1-(cycloocten-1-yl)-3-ethoxypropyl]hydrazine
CID 106650004
[1-(cyclohepten-1-yl)-3-methylbutyl]hydrazine
CID 106648613
1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654843
[1-(cyclohepten-1-yl)-2-cycloheptylethyl]hydrazine
CID 106650401
2-(cycloocten-1-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 106649237
[2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine
CID 106648573
[1-(cyclohepten-1-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648713
[1-[(1E)-cycloocten-1-yl]-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648712

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The IUPAC name of [1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (CID 106649725) is [1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.
What is the SMILES notation for [1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The canonical SMILES for [1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is NNC(COCC(F)(F)F)C1=CCCCCC1.
What is the InChIKey of [1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The InChIKey is HHNUWQSYDRKDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-17-7-10(16-15)9-5-3-1-2-4-6-9/h5,10,16H,1-4,6-8,15H2.
What are the key properties of [1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine has a molecular weight of 252.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is sourced from PubChem (CID 106649725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).