[4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine

C9H20F2N2O2 — CID 103152083

IUPAC[4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine
SMILESCCCOCC(CCOCC(F)F)NN
InChIInChI=1S/C9H20F2N2O2/c1-2-4-14-6-8(13-12)3-5-15-7-9(10)11/h8-9,13H,2-7,12H2,1H3
InChIKeyFDSMXLDJXHWYSV-UHFFFAOYSA-N
MW226.27 g/mol
LogP0.92
Rot. Bonds10

About [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine

[4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine (PubChem CID 103152083) has the molecular formula C9H20F2N2O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine
PubChem CID103152083
Molecular FormulaC9H20F2N2O2
Molecular Weight226.27 g/mol
Exact Mass226.15
IUPAC Name[4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine
SMILESCCCOCC(CCOCC(F)F)NN
InChIInChI=1S/C9H20F2N2O2/c1-2-4-14-6-8(13-12)3-5-15-7-9(10)11/h8-9,13H,2-7,12H2,1H3
InChIKeyFDSMXLDJXHWYSV-UHFFFAOYSA-N
XLogP0.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine (CID 103152083) is [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine is CCCOCC(CCOCC(F)F)NN.
What is the InChIKey of [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine?
The InChIKey is FDSMXLDJXHWYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O2/c1-2-4-14-6-8(13-12)3-5-15-7-9(10)11/h8-9,13H,2-7,12H2,1H3.
What are the key properties of [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine?
[4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine has a molecular weight of 226.27 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-1-propoxybutan-2-yl]hydrazine is sourced from PubChem (CID 103152083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).