[1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine

C13H24F2N2O — CID 103151759

IUPAC[1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)CC1CC2CCC1C2
InChIInChI=1S/C13H24F2N2O/c14-13(15)8-18-4-3-12(17-16)7-11-6-9-1-2-10(11)5-9/h9-13,17H,1-8,16H2
InChIKeyFIDIZZPAHLEKKU-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.32
Rot. Bonds8

About [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine

[1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151759) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151759
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name[1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)CC1CC2CCC1C2
InChIInChI=1S/C13H24F2N2O/c14-13(15)8-18-4-3-12(17-16)7-11-6-9-1-2-10(11)5-9/h9-13,17H,1-8,16H2
InChIKeyFIDIZZPAHLEKKU-UHFFFAOYSA-N
XLogP2.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.32
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine (CID 103151759) is [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine is NNC(CCOCC(F)F)CC1CC2CCC1C2.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is FIDIZZPAHLEKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c14-13(15)8-18-4-3-12(17-16)7-11-6-9-1-2-10(11)5-9/h9-13,17H,1-8,16H2.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
[1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 262.34 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).