1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine

C9H15F3N2 — CID 130915818

IUPAC1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)(F)[C@H](C1CC1)N1CCNCC1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)8(7-1-2-7)14-5-3-13-4-6-14/h7-8,13H,1-6H2/t8-/m0/s1
InChIKeyLRFQFZNQEMBRIF-QMMMGPOBSA-N
MW208.23 g/mol
LogP1.23
Rot. Bonds2

About 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine

1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine (PubChem CID 130915818) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine
PubChem CID130915818
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)(F)[C@H](C1CC1)N1CCNCC1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)8(7-1-2-7)14-5-3-13-4-6-14/h7-8,13H,1-6H2/t8-/m0/s1
InChIKeyLRFQFZNQEMBRIF-QMMMGPOBSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropyl-2,2,2-trifluoroethyl)piperazine
CID 83688036
1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine
CID 171288800
1-(2-cyclopropyl-3,3,3-trifluoropropyl)piperazine
CID 83838684
1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride
CID 171302579
1-[(S)-cyclopropyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171278996
1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 171166981
cyclohexyl(piperazin-1-yl)methanamine
CID 116939842
1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride
CID 171276178
1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine
CID 84711201
6-bromo-2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenol
CID 171301928
1-[(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine
CID 171279971
1-[(S)-cyclopropyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279601

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine (CID 130915818) is 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine is FC(F)(F)[C@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine?
The InChIKey is LRFQFZNQEMBRIF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)8(7-1-2-7)14-5-3-13-4-6-14/h7-8,13H,1-6H2/t8-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine?
1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine has a molecular weight of 208.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine is sourced from PubChem (CID 130915818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).