[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine

C12H16F2N2O — CID 105265014

IUPAC[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
SMILESNNC(CCc1ccc2c(c1)CCO2)C(F)F
InChIInChI=1S/C12H16F2N2O/c13-12(14)10(16-15)3-1-8-2-4-11-9(7-8)5-6-17-11/h2,4,7,10,12,16H,1,3,5-6,15H2
InChIKeyNCBDRHNHDAHNES-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.65
Rot. Bonds5

About [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine

[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine (PubChem CID 105265014) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
PubChem CID105265014
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
SMILESNNC(CCc1ccc2c(c1)CCO2)C(F)F
InChIInChI=1S/C12H16F2N2O/c13-12(14)10(16-15)3-1-8-2-4-11-9(7-8)5-6-17-11/h2,4,7,10,12,16H,1,3,5-6,15H2
InChIKeyNCBDRHNHDAHNES-UHFFFAOYSA-N
XLogP1.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylsulfonylpentan-3-yl]hydrazine
CID 105310444
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethoxybutan-2-yl]hydrazine
CID 105235222
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methylfuran-2-yl)propyl]hydrazine
CID 105310452
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridazin-4-ylpropyl]hydrazine
CID 105310446
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-ethylfuran-2-yl)propyl]hydrazine
CID 105310456
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105198529

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine (CID 105265014) is [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine is NNC(CCc1ccc2c(c1)CCO2)C(F)F.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine?
The InChIKey is NCBDRHNHDAHNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-12(14)10(16-15)3-1-8-2-4-11-9(7-8)5-6-17-11/h2,4,7,10,12,16H,1,3,5-6,15H2.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine?
[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine has a molecular weight of 242.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine is sourced from PubChem (CID 105265014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).