1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine

C17H16F4N2 — CID 11558854

IUPAC1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
SMILESFc1cc(-c2cccc(C(F)(F)F)c2)cc(N2CCNCC2)c1
InChIInChI=1S/C17H16F4N2/c18-15-9-13(10-16(11-15)23-6-4-22-5-7-23)12-2-1-3-14(8-12)17(19,20)21/h1-3,8-11,22H,4-7H2
InChIKeyIPVYYMCMEUTLEA-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.92
Rot. Bonds2

About 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine

1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine (PubChem CID 11558854) has the molecular formula C17H16F4N2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
PubChem CID11558854
Molecular FormulaC17H16F4N2
Molecular Weight324.32 g/mol
Exact Mass324.12
IUPAC Name1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
SMILESFc1cc(-c2cccc(C(F)(F)F)c2)cc(N2CCNCC2)c1
InChIInChI=1S/C17H16F4N2/c18-15-9-13(10-16(11-15)23-6-4-22-5-7-23)12-2-1-3-14(8-12)17(19,20)21/h1-3,8-11,22H,4-7H2
InChIKeyIPVYYMCMEUTLEA-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-[3-fluoro-5-(2-fluorophenyl)phenyl]piperazine
CID 11708865
2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride
CID 68595238
1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
CID 176727239
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine
CID 83855536
1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine
CID 162584678
1-(3-ethyl-5-fluorophenyl)piperazine
CID 84780261
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine?
The IUPAC name of 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine (CID 11558854) is 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine.
What is the SMILES notation for 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine?
The canonical SMILES for 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine is Fc1cc(-c2cccc(C(F)(F)F)c2)cc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine?
The InChIKey is IPVYYMCMEUTLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2/c18-15-9-13(10-16(11-15)23-6-4-22-5-7-23)12-2-1-3-14(8-12)17(19,20)21/h1-3,8-11,22H,4-7H2.
What are the key properties of 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine?
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine has a molecular weight of 324.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine is sourced from PubChem (CID 11558854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).