1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine

C14H16F2N2O — CID 116840474

IUPAC1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine
SMILESFC(F)(CN1CCNCC1)c1coc2ccccc12
InChIInChI=1S/C14H16F2N2O/c15-14(16,10-18-7-5-17-6-8-18)12-9-19-13-4-2-1-3-11(12)13/h1-4,9,17H,5-8,10H2
InChIKeyYKBGNPYDZMNWCD-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.43
Rot. Bonds3

About 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine

1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine (PubChem CID 116840474) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine
PubChem CID116840474
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine
SMILESFC(F)(CN1CCNCC1)c1coc2ccccc12
InChIInChI=1S/C14H16F2N2O/c15-14(16,10-18-7-5-17-6-8-18)12-9-19-13-4-2-1-3-11(12)13/h1-4,9,17H,5-8,10H2
InChIKeyYKBGNPYDZMNWCD-UHFFFAOYSA-N
XLogP2.43
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 80702164
1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 116840439
N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine
CID 115230477
1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine
CID 83855536
1-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]piperazine
CID 116840464
1-benzofuran-3-yl(piperazin-1-yl)methanamine
CID 116939837
3-piperazin-1-ylchromen-4-one
CID 142793533
N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
CID 119449206
3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 117243889
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 117244247

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine (CID 116840474) is 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine is FC(F)(CN1CCNCC1)c1coc2ccccc12.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine?
The InChIKey is YKBGNPYDZMNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-14(16,10-18-7-5-17-6-8-18)12-9-19-13-4-2-1-3-11(12)13/h1-4,9,17H,5-8,10H2.
What are the key properties of 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine?
1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine has a molecular weight of 266.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine is sourced from PubChem (CID 116840474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).