1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride

C13H17ClF4N2 — CID 171170943

IUPAC1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
SMILESC[C@H](c1cccc(C(F)(F)F)c1F)N1CCNCC1.Cl
InChIInChI=1S/C13H16F4N2.ClH/c1-9(19-7-5-18-6-8-19)10-3-2-4-11(12(10)14)13(15,16)17;/h2-4,9,18H,5-8H2,1H3;1H/t9-;/m1./s1
InChIKeyYDRQBIXYJYTERB-SBSPUUFOSA-N
MW312.74 g/mol
LogP3.23
Rot. Bonds2

About 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride

1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride (PubChem CID 171170943) has the molecular formula C13H17ClF4N2 and a molecular weight of 312.74 g/mol. Its IUPAC name is 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
PubChem CID171170943
Molecular FormulaC13H17ClF4N2
Molecular Weight312.74 g/mol
Exact Mass312.10
IUPAC Name1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
SMILESC[C@H](c1cccc(C(F)(F)F)c1F)N1CCNCC1.Cl
InChIInChI=1S/C13H16F4N2.ClH/c1-9(19-7-5-18-6-8-19)10-3-2-4-11(12(10)14)13(15,16)17;/h2-4,9,18H,5-8H2,1H3;1H/t9-;/m1./s1
InChIKeyYDRQBIXYJYTERB-SBSPUUFOSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171280041
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171291887
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171170836
1-[(1R)-3-fluoro-1-[2-fluoro-3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170871
1-[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171165572
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117109406
1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171165589
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171166814
1-[(1S)-1-(2,3-difluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171166576
1-[(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171279258
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430
1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
CID 82478371

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride (CID 171170943) is 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride is C[C@H](c1cccc(C(F)(F)F)c1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
The InChIKey is YDRQBIXYJYTERB-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H16F4N2.ClH/c1-9(19-7-5-18-6-8-19)10-3-2-4-11(12(10)14)13(15,16)17;/h2-4,9,18H,5-8H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride has a molecular weight of 312.74 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171170943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).