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

C19H17F7N2O — CID 171292497

IUPAC1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F7N2O/c20-13-3-6-15(16(11-13)18(21,22)23)17(28-9-7-27-8-10-28)12-1-4-14(5-2-12)29-19(24,25)26/h1-6,11,17,27H,7-10H2/t17-/m1/s1
InChIKeyDHMZQFQUEGGOKM-QGZVFWFLSA-N
MW422.34 g/mol
LogP4.74
Rot. Bonds4

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

1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171292497) has the molecular formula C19H17F7N2O and a molecular weight of 422.34 g/mol. Its IUPAC name is 1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171292497
Molecular FormulaC19H17F7N2O
Molecular Weight422.34 g/mol
Exact Mass422.12
IUPAC Name1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F7N2O/c20-13-3-6-15(16(11-13)18(21,22)23)17(28-9-7-27-8-10-28)12-1-4-14(5-2-12)29-19(24,25)26/h1-6,11,17,27H,7-10H2/t17-/m1/s1
InChIKeyDHMZQFQUEGGOKM-QGZVFWFLSA-N
XLogP4.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
1-[(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275874
1-[(R)-[2,5-bis(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171292369
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171296726
1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280478
1-[(R)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286633
1-[(R)-(5-chloro-2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171288093
1-[(S)-[4-(trifluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methyl]piperazine
CID 171277534
1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171292758
1-[(S)-(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280429
2-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,4-diol
CID 171287430

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171292497) is 1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine is Fc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is DHMZQFQUEGGOKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17F7N2O/c20-13-3-6-15(16(11-13)18(21,22)23)17(28-9-7-27-8-10-28)12-1-4-14(5-2-12)29-19(24,25)26/h1-6,11,17,27H,7-10H2/t17-/m1/s1.
What are the key properties of 1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 422.34 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171292497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).