1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine

C12H15F3N2 — CID 171181869

IUPAC1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C12H15F3N2/c13-8-11(17-6-4-16-5-7-17)12-9(14)2-1-3-10(12)15/h1-3,11,16H,4-8H2/t11-/m1/s1
InChIKeyVZVFRNZIQOYEFM-LLVKDONJSA-N
MW244.26 g/mol
LogP1.88
Rot. Bonds3

About 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine

1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine (PubChem CID 171181869) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
PubChem CID171181869
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C12H15F3N2/c13-8-11(17-6-4-16-5-7-17)12-9(14)2-1-3-10(12)15/h1-3,11,16H,4-8H2/t11-/m1/s1
InChIKeyVZVFRNZIQOYEFM-LLVKDONJSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine
CID 171169542
(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
CID 171174339
1-[(1S)-2-fluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171181975
1-[(1R)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine
CID 171182666
1-[(1R)-2-fluoro-1-(2,3,6-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277668
1-[(1R)-1-(2,6-difluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171169529
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182007
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171292643
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182629
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1S)-1-(3-chloro-2,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182025

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine (CID 171181869) is 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine is FC[C@H](c1c(F)cccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine?
The InChIKey is VZVFRNZIQOYEFM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-8-11(17-6-4-16-5-7-17)12-9(14)2-1-3-10(12)15/h1-3,11,16H,4-8H2/t11-/m1/s1.
What are the key properties of 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine?
1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine has a molecular weight of 244.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine is sourced from PubChem (CID 171181869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).