1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine

C13H15ClF4N2 — CID 171182810

IUPAC1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
SMILESFC[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C13H15ClF4N2/c14-11-6-9(5-10(7-11)13(16,17)18)12(8-15)20-3-1-19-2-4-20/h5-7,12,19H,1-4,8H2/t12-/m0/s1
InChIKeyTWCLAFPVSUXKPU-LBPRGKRZSA-N
MW310.72 g/mol
LogP3.27
Rot. Bonds3

About 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine

1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine (PubChem CID 171182810) has the molecular formula C13H15ClF4N2 and a molecular weight of 310.72 g/mol. Its IUPAC name is 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
PubChem CID171182810
Molecular FormulaC13H15ClF4N2
Molecular Weight310.72 g/mol
Exact Mass310.09
IUPAC Name1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
SMILESFC[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C13H15ClF4N2/c14-11-6-9(5-10(7-11)13(16,17)18)12(8-15)20-3-1-19-2-4-20/h5-7,12,19H,1-4,8H2/t12-/m0/s1
InChIKeyTWCLAFPVSUXKPU-LBPRGKRZSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181646
1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171172900
1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171172924
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171167566
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309701
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171167520
1-[(R)-(5-chlorothiophen-2-yl)-[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 171181302
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305667
(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171173340
1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171285468
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171174113
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
CID 171182017

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine (CID 171182810) is 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine is FC[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine?
The InChIKey is TWCLAFPVSUXKPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15ClF4N2/c14-11-6-9(5-10(7-11)13(16,17)18)12(8-15)20-3-1-19-2-4-20/h5-7,12,19H,1-4,8H2/t12-/m0/s1.
What are the key properties of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine?
1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine has a molecular weight of 310.72 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine is sourced from PubChem (CID 171182810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).