(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine

C9H17F3N2 — CID 82756199

IUPAC(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESC[C@H]1CNCCN1CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-8-7-13-4-6-14(8)5-2-3-9(10,11)12/h8,13H,2-7H2,1H3/t8-/m0/s1
InChIKeyCRJHMVPRFRAGCJ-QMMMGPOBSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds3

About (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine

(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine (PubChem CID 82756199) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
PubChem CID82756199
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESC[C@H]1CNCCN1CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-8-7-13-4-6-14(8)5-2-3-9(10,11)12/h8,13H,2-7H2,1H3/t8-/m0/s1
InChIKeyCRJHMVPRFRAGCJ-QMMMGPOBSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine?
The IUPAC name of (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine (CID 82756199) is (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine?
The canonical SMILES for (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine is C[C@H]1CNCCN1CCCC(F)(F)F.
What is the InChIKey of (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine?
The InChIKey is CRJHMVPRFRAGCJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8-7-13-4-6-14(8)5-2-3-9(10,11)12/h8,13H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine?
(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine is sourced from PubChem (CID 82756199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).