1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine

C19H17F7N2O2 — CID 171296726

IUPAC1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C19H17F7N2O2/c20-16-6-5-14(30-19(24,25)26)11-15(16)17(28-9-7-27-8-10-28)12-1-3-13(4-2-12)29-18(21,22)23/h1-6,11,17,27H,7-10H2/t17-/m1/s1
InChIKeyOZCIJTLQLMMEDO-QGZVFWFLSA-N
MW438.34 g/mol
LogP4.62
Rot. Bonds5

About 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171296726) has the molecular formula C19H17F7N2O2 and a molecular weight of 438.34 g/mol. Its IUPAC name is 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171296726
Molecular FormulaC19H17F7N2O2
Molecular Weight438.34 g/mol
Exact Mass438.12
IUPAC Name1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C19H17F7N2O2/c20-16-6-5-14(30-19(24,25)26)11-15(16)17(28-9-7-27-8-10-28)12-1-3-13(4-2-12)29-18(21,22)23/h1-6,11,17,27H,7-10H2/t17-/m1/s1
InChIKeyOZCIJTLQLMMEDO-QGZVFWFLSA-N
XLogP4.62
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171178155
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(R)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286633
1-[(R)-(2,5-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171288571
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171178153
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
1-[(S)-[4-(trifluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methyl]piperazine
CID 171277534
1-[(S)-(2-bromo-3-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171277243
1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171292497
2-amino-3-fluoro-6-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171298501

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171296726) is 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine is Fc1ccc(OC(F)(F)F)cc1[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is OZCIJTLQLMMEDO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17F7N2O2/c20-16-6-5-14(30-19(24,25)26)11-15(16)17(28-9-7-27-8-10-28)12-1-3-13(4-2-12)29-18(21,22)23/h1-6,11,17,27H,7-10H2/t17-/m1/s1.
What are the key properties of 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 438.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171296726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).