1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine

C15H15F3N2O — CID 171179613

IUPAC1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
SMILESFc1cc(F)c(F)c([C@H](c2ccco2)N2CCNCC2)c1
InChIInChI=1S/C15H15F3N2O/c16-10-8-11(14(18)12(17)9-10)15(13-2-1-7-21-13)20-5-3-19-4-6-20/h1-2,7-9,15,19H,3-6H2/t15-/m1/s1
InChIKeyRJBCKEPOWWDVFW-OAHLLOKOSA-N
MW296.29 g/mol
LogP2.69
Rot. Bonds3

About 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine

1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine (PubChem CID 171179613) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
PubChem CID171179613
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
SMILESFc1cc(F)c(F)c([C@H](c2ccco2)N2CCNCC2)c1
InChIInChI=1S/C15H15F3N2O/c16-10-8-11(14(18)12(17)9-10)15(13-2-1-7-21-13)20-5-3-19-4-6-20/h1-2,7-9,15,19H,3-6H2/t15-/m1/s1
InChIKeyRJBCKEPOWWDVFW-OAHLLOKOSA-N
XLogP2.69
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride
CID 171175035
1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171178743
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175353
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171181410

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine (CID 171179613) is 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine is Fc1cc(F)c(F)c([C@H](c2ccco2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine?
The InChIKey is RJBCKEPOWWDVFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-10-8-11(14(18)12(17)9-10)15(13-2-1-7-21-13)20-5-3-19-4-6-20/h1-2,7-9,15,19H,3-6H2/t15-/m1/s1.
What are the key properties of 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine?
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine has a molecular weight of 296.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine is sourced from PubChem (CID 171179613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).