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

C12H21F3N2O — CID 106649703

IUPAC[1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-18-8-7-11(17-16)10-5-3-1-2-4-6-10/h5,11,17H,1-4,6-9,16H2
InChIKeyWURVYVKBAFLEIK-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.68
Rot. Bonds6

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

[1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 106649703) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is [1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID106649703
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name[1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-18-8-7-11(17-16)10-5-3-1-2-4-6-10/h5,11,17H,1-4,6-9,16H2
InChIKeyWURVYVKBAFLEIK-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': '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-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 106649703) is [1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)C1=CCCCCC1.
What is the InChIKey of [1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is WURVYVKBAFLEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)9-18-8-7-11(17-16)10-5-3-1-2-4-6-10/h5,11,17H,1-4,6-9,16H2.
What are the key properties of [1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 266.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 106649703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).