1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine

C10H13F3N2O — CID 131475959

IUPAC1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine
SMILESFC(F)(F)[C@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9(8-2-1-7-16-8)15-5-3-14-4-6-15/h1-2,7,9,14H,3-6H2/t9-/m0/s1
InChIKeyPSYHFOMMPLBKDE-VIFPVBQESA-N
MW234.22 g/mol
LogP1.79
Rot. Bonds2

About 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine

1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine (PubChem CID 131475959) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine
PubChem CID131475959
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine
SMILESFC(F)(F)[C@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9(8-2-1-7-16-8)15-5-3-14-4-6-15/h1-2,7,9,14H,3-6H2/t9-/m0/s1
InChIKeyPSYHFOMMPLBKDE-VIFPVBQESA-N
XLogP1.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180697
2-(furan-2-yl)-2-piperazin-1-ylacetic acid
CID 82077936
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171174920
1-[(1R)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178275
1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180957
1-[(1S)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine
CID 171294498
1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
CID 171281879
3-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzene-1,2-diol
CID 171178759
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285064
1-[(S)-furan-2-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176921

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine (CID 131475959) is 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine is FC(F)(F)[C@H](c1ccco1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine?
The InChIKey is PSYHFOMMPLBKDE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)9(8-2-1-7-16-8)15-5-3-14-4-6-15/h1-2,7,9,14H,3-6H2/t9-/m0/s1.
What are the key properties of 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine?
1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine has a molecular weight of 234.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine is sourced from PubChem (CID 131475959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).