1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine

C16H16F4N2OS — CID 171178155

IUPAC1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C16H16F4N2OS/c17-14-2-1-12(23-16(18,19)20)9-13(14)15(11-3-8-24-10-11)22-6-4-21-5-7-22/h1-3,8-10,15,21H,4-7H2/t15-/m1/s1
InChIKeyUHRBXVIKSDAUNP-OAHLLOKOSA-N
MW360.38 g/mol
LogP3.78
Rot. Bonds4

About 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine

1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine (PubChem CID 171178155) 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-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
PubChem CID171178155
Molecular FormulaC16H16F4N2OS
Molecular Weight360.38 g/mol
Exact Mass360.09
IUPAC Name1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C16H16F4N2OS/c17-14-2-1-12(23-16(18,19)20)9-13(14)15(11-3-8-24-10-11)22-6-4-21-5-7-22/h1-3,8-10,15,21H,4-7H2/t15-/m1/s1
InChIKeyUHRBXVIKSDAUNP-OAHLLOKOSA-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)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171177341
1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180039
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171178153
1-[(R)-(5-chloro-2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171288093
1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171292758
1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
CID 171173290
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171216255
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171167887
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171216256
1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171175555
1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296719

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine (CID 171178155) is 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine is Fc1ccc(OC(F)(F)F)cc1[C@@H](c1ccsc1)N1CCNCC1.
What is the InChIKey of 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine?
The InChIKey is UHRBXVIKSDAUNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F4N2OS/c17-14-2-1-12(23-16(18,19)20)9-13(14)15(11-3-8-24-10-11)22-6-4-21-5-7-22/h1-3,8-10,15,21H,4-7H2/t15-/m1/s1.
What are the key properties of 1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine?
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-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-3-ylmethyl]piperazine is sourced from PubChem (CID 171178155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).