1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine

C16H17F3N2O2 — CID 171180697

IUPAC1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccccc1[C@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)23-13-5-2-1-4-12(13)15(14-6-3-11-22-14)21-9-7-20-8-10-21/h1-6,11,15,20H,7-10H2/t15-/m1/s1
InChIKeyJRBBPIRIXIECRP-OAHLLOKOSA-N
MW326.32 g/mol
LogP3.17
Rot. Bonds4

About 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171180697) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171180697
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccccc1[C@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)23-13-5-2-1-4-12(13)15(14-6-3-11-22-14)21-9-7-20-8-10-21/h1-6,11,15,20H,7-10H2/t15-/m1/s1
InChIKeyJRBBPIRIXIECRP-OAHLLOKOSA-N
XLogP3.17
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171176743
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
CID 171177505
1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180282
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280478
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(R)-thiophen-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280475
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(S)-[3-bromo-5-(trifluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171176803
1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180714
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

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171180697) is 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine is FC(F)(F)Oc1ccccc1[C@H](c1ccco1)N1CCNCC1.
What is the InChIKey of 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is JRBBPIRIXIECRP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)23-13-5-2-1-4-12(13)15(14-6-3-11-22-14)21-9-7-20-8-10-21/h1-6,11,15,20H,7-10H2/t15-/m1/s1.
What are the key properties of 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 326.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171180697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).