1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine

C13H16F2N2 — CID 21073123

IUPAC1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine
SMILESFC1(F)Cc2cccc(N3CCNCC3)c2C1
InChIInChI=1S/C13H16F2N2/c14-13(15)8-10-2-1-3-12(11(10)9-13)17-6-4-16-5-7-17/h1-3,16H,4-9H2
InChIKeyFFURVELWXZOUTI-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.83
Rot. Bonds1

About 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine

1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine (PubChem CID 21073123) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine
PubChem CID21073123
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine
SMILESFC1(F)Cc2cccc(N3CCNCC3)c2C1
InChIInChI=1S/C13H16F2N2/c14-13(15)8-10-2-1-3-12(11(10)9-13)17-6-4-16-5-7-17/h1-3,16H,4-9H2
InChIKeyFFURVELWXZOUTI-UHFFFAOYSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine?
The IUPAC name of 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine (CID 21073123) is 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine.
What is the SMILES notation for 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine?
The canonical SMILES for 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine is FC1(F)Cc2cccc(N3CCNCC3)c2C1.
What is the InChIKey of 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine?
The InChIKey is FFURVELWXZOUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c14-13(15)8-10-2-1-3-12(11(10)9-13)17-6-4-16-5-7-17/h1-3,16H,4-9H2.
What are the key properties of 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine?
1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine has a molecular weight of 238.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-dihydroinden-4-yl)piperazine is sourced from PubChem (CID 21073123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).