1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine

C12H13ClF4N2 — CID 171178960

IUPAC1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
SMILESFc1ccc(Cl)cc1[C@@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H13ClF4N2/c13-8-1-2-10(14)9(7-8)11(12(15,16)17)19-5-3-18-4-6-19/h1-2,7,11,18H,3-6H2/t11-/m1/s1
InChIKeyRAWXCKZNNDEDJC-LLVKDONJSA-N
MW296.70 g/mol
LogP2.99
Rot. Bonds2

About 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine

1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine (PubChem CID 171178960) has the molecular formula C12H13ClF4N2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
PubChem CID171178960
Molecular FormulaC12H13ClF4N2
Molecular Weight296.70 g/mol
Exact Mass296.07
IUPAC Name1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
SMILESFc1ccc(Cl)cc1[C@@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H13ClF4N2/c13-8-1-2-10(14)9(7-8)11(12(15,16)17)19-5-3-18-4-6-19/h1-2,7,11,18H,3-6H2/t11-/m1/s1
InChIKeyRAWXCKZNNDEDJC-LLVKDONJSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179102
(3R)-3-(5-chloro-2-fluorophenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171178966
1-[(1R)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180965
1-[(1S)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171177581
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethyl]piperazine
CID 171176606
1-[(1S)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171177902
1-[(1S)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163680
1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine
CID 171179703
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171274947
2,4-dichloro-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171174905
1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180957
1-[(1S)-2,2,2-trifluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171176590

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine (CID 171178960) is 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine is Fc1ccc(Cl)cc1[C@@H](N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine?
The InChIKey is RAWXCKZNNDEDJC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13ClF4N2/c13-8-1-2-10(14)9(7-8)11(12(15,16)17)19-5-3-18-4-6-19/h1-2,7,11,18H,3-6H2/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine?
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine has a molecular weight of 296.70 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine is sourced from PubChem (CID 171178960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).