1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine

C16H16F4N2OS — CID 171178153

IUPAC1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C16H16F4N2OS/c17-13-4-3-11(23-16(18,19)20)10-12(13)15(14-2-1-9-24-14)22-7-5-21-6-8-22/h1-4,9-10,15,21H,5-8H2/t15-/m0/s1
InChIKeyIRZIPYXOKGNNKI-HNNXBMFYSA-N
MW360.38 g/mol
LogP3.78
Rot. Bonds4

About 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine

1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine (PubChem CID 171178153) has the molecular formula C16H16F4N2OS and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
PubChem CID171178153
Molecular FormulaC16H16F4N2OS
Molecular Weight360.38 g/mol
Exact Mass360.09
IUPAC Name1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C16H16F4N2OS/c17-13-4-3-11(23-16(18,19)20)10-12(13)15(14-2-1-9-24-14)22-7-5-21-6-8-22/h1-4,9-10,15,21H,5-8H2/t15-/m0/s1
InChIKeyIRZIPYXOKGNNKI-HNNXBMFYSA-N
XLogP3.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171296726
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171178155
1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280132
1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171175862
1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610
1-[(S)-(2-fluoro-5-iodophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171178136
1-[(R)-thiophen-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280475
1-[(R)-(5-chloro-2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171288093
1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171179028
1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
CID 171173290
1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296719
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171178149

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine (CID 171178153) is 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine is Fc1ccc(OC(F)(F)F)cc1[C@@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine?
The InChIKey is IRZIPYXOKGNNKI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16F4N2OS/c17-13-4-3-11(23-16(18,19)20)10-12(13)15(14-2-1-9-24-14)22-7-5-21-6-8-22/h1-4,9-10,15,21H,5-8H2/t15-/m0/s1.
What are the key properties of 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine?
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine has a molecular weight of 360.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171178153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).