1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine

C12H15F3N2 — CID 171182462

IUPAC1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
SMILESFC[C@@H](c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C12H15F3N2/c13-8-12(17-5-3-16-4-6-17)10-7-9(14)1-2-11(10)15/h1-2,7,12,16H,3-6,8H2/t12-/m0/s1
InChIKeyDFQPAOGOAZUIAS-LBPRGKRZSA-N
MW244.26 g/mol
LogP1.88
Rot. Bonds3

About 1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine

1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine (PubChem CID 171182462) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
PubChem CID171182462
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
SMILESFC[C@@H](c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C12H15F3N2/c13-8-12(17-5-3-16-4-6-17)10-7-9(14)1-2-11(10)15/h1-2,7,12,16H,3-6,8H2/t12-/m0/s1
InChIKeyDFQPAOGOAZUIAS-LBPRGKRZSA-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-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174342
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
1-[(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171275863
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
1-[1-(2,5-difluorophenyl)propyl]-1,4-diazepane
CID 82298844
1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
CID 171182642
1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277062
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277985

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine (CID 171182462) is 1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine is FC[C@@H](c1cc(F)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine?
The InChIKey is DFQPAOGOAZUIAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-8-12(17-5-3-16-4-6-17)10-7-9(14)1-2-11(10)15/h1-2,7,12,16H,3-6,8H2/t12-/m0/s1.
What are the key properties of 1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine?
1-[(1R)-1-(2,5-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-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine is sourced from PubChem (CID 171182462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).