1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine

C12H14Br2F2N2 — CID 171283601

IUPAC1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine
SMILESFC(F)[C@@H](c1cc(Br)ccc1Br)N1CCNCC1
InChIInChI=1S/C12H14Br2F2N2/c13-8-1-2-10(14)9(7-8)11(12(15)16)18-5-3-17-4-6-18/h1-2,7,11-12,17H,3-6H2/t11-/m1/s1
InChIKeyIQBDCCUOYUJXLO-LLVKDONJSA-N
MW384.06 g/mol
LogP3.42
Rot. Bonds3

About 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine

1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine (PubChem CID 171283601) has the molecular formula C12H14Br2F2N2 and a molecular weight of 384.06 g/mol. Its IUPAC name is 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine
PubChem CID171283601
Molecular FormulaC12H14Br2F2N2
Molecular Weight384.06 g/mol
Exact Mass381.95
IUPAC Name1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine
SMILESFC(F)[C@@H](c1cc(Br)ccc1Br)N1CCNCC1
InChIInChI=1S/C12H14Br2F2N2/c13-8-1-2-10(14)9(7-8)11(12(15)16)18-5-3-17-4-6-18/h1-2,7,11-12,17H,3-6H2/t11-/m1/s1
InChIKeyIQBDCCUOYUJXLO-LLVKDONJSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.06
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(5-bromo-2-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171274394
1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171288489
1-[(1R)-1-[5-bromo-2-(trifluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171279381
1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171273311
1-[(1S)-1-(4-bromo-3-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171287859
4-bromo-2-chloro-6-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]phenol
CID 171300202
1-[(1S)-1-(3,5-dibromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171295338
4-bromo-6-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2,3-difluorophenol
CID 171301442
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131429782
1-[(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]piperazine
CID 171290317
4-bromo-2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-6-methoxyphenol
CID 171282056
1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131424917

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine (CID 171283601) is 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine is FC(F)[C@@H](c1cc(Br)ccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine?
The InChIKey is IQBDCCUOYUJXLO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14Br2F2N2/c13-8-1-2-10(14)9(7-8)11(12(15)16)18-5-3-17-4-6-18/h1-2,7,11-12,17H,3-6H2/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine?
1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine has a molecular weight of 384.06 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine is sourced from PubChem (CID 171283601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).