1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine

C12H14F2N2O — CID 84800463

IUPAC1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine
SMILESFc1cc2c(c(F)c1N1CCNCC1)CCO2
InChIInChI=1S/C12H14F2N2O/c13-9-7-10-8(1-6-17-10)11(14)12(9)16-4-2-15-3-5-16/h7,15H,1-6H2
InChIKeyZMFHSTBKXQSSJQ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.31
Rot. Bonds1

About 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine

1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine (PubChem CID 84800463) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine.

Molecular Properties

Compound Name1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine
PubChem CID84800463
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine
SMILESFc1cc2c(c(F)c1N1CCNCC1)CCO2
InChIInChI=1S/C12H14F2N2O/c13-9-7-10-8(1-6-17-10)11(14)12(9)16-4-2-15-3-5-16/h7,15H,1-6H2
InChIKeyZMFHSTBKXQSSJQ-UHFFFAOYSA-N
XLogP1.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,5,6-tetrafluorophenyl)piperazine
CID 21363751
3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117385746
(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine
CID 74891876
1-(4-tert-butyl-2,6-difluorophenyl)piperazine
CID 164933901
3,5-difluoro-2-methoxy-4-piperazin-1-ylaniline
CID 88756943
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84782675
(3S,4R)-4-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 118132812
(3S,4R)-4-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)-3-methylpyrrolidin-2-one
CID 126653349
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
CID 117322946
6-piperazin-1-yl-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62137118
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
CID 84812515

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine?
The IUPAC name of 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine (CID 84800463) is 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine.
What is the SMILES notation for 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine?
The canonical SMILES for 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine is Fc1cc2c(c(F)c1N1CCNCC1)CCO2.
What is the InChIKey of 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine?
The InChIKey is ZMFHSTBKXQSSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-7-10-8(1-6-17-10)11(14)12(9)16-4-2-15-3-5-16/h7,15H,1-6H2.
What are the key properties of 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine?
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine has a molecular weight of 240.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine is sourced from PubChem (CID 84800463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).