1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine

C16H16F4N2S — CID 171179028

IUPAC1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
SMILESFc1ccc([C@H](c2cccs2)N2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C16H16F4N2S/c17-13-4-3-11(10-12(13)16(18,19)20)15(14-2-1-9-23-14)22-7-5-21-6-8-22/h1-4,9-10,15,21H,5-8H2/t15-/m1/s1
InChIKeyDOHFUSYSBHJVPJ-OAHLLOKOSA-N
MW344.38 g/mol
LogP3.90
Rot. Bonds3

About 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine

1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine (PubChem CID 171179028) has the molecular formula C16H16F4N2S and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
PubChem CID171179028
Molecular FormulaC16H16F4N2S
Molecular Weight344.38 g/mol
Exact Mass344.10
IUPAC Name1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
SMILESFc1ccc([C@H](c2cccs2)N2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C16H16F4N2S/c17-13-4-3-11(10-12(13)16(18,19)20)15(14-2-1-9-23-14)22-7-5-21-6-8-22/h1-4,9-10,15,21H,5-8H2/t15-/m1/s1
InChIKeyDOHFUSYSBHJVPJ-OAHLLOKOSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171174966
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(R)-[2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171279231
1-[(R)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171284051
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280132
1-[(1S)-2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171288462
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171178153
2,6-ditert-butyl-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171284901
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine (CID 171179028) is 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine is Fc1ccc([C@H](c2cccs2)N2CCNCC2)cc1C(F)(F)F.
What is the InChIKey of 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine?
The InChIKey is DOHFUSYSBHJVPJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F4N2S/c17-13-4-3-11(10-12(13)16(18,19)20)15(14-2-1-9-23-14)22-7-5-21-6-8-22/h1-4,9-10,15,21H,5-8H2/t15-/m1/s1.
What are the key properties of 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine?
1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine has a molecular weight of 344.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171179028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).