1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride

C19H21Cl2F3N2 — CID 171295162

IUPAC1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)[C@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1
InChIInChI=1S/C19H19F3N2.2ClH/c20-19(21,22)18(24-9-7-23-8-10-24)14-5-6-17-15(12-14)11-13-3-1-2-4-16(13)17;;/h1-6,12,18,23H,7-11H2;2*1H/t18-;;/m0../s1
InChIKeyPLQWYDOGVUSCTB-NTEVMMBTSA-N
MW405.29 g/mol
LogP4.61
Rot. Bonds2

About 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride

1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride (PubChem CID 171295162) has the molecular formula C19H21Cl2F3N2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
PubChem CID171295162
Molecular FormulaC19H21Cl2F3N2
Molecular Weight405.29 g/mol
Exact Mass404.10
IUPAC Name1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)[C@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1
InChIInChI=1S/C19H19F3N2.2ClH/c20-19(21,22)18(24-9-7-23-8-10-24)14-5-6-17-15(12-14)11-13-3-1-2-4-16(13)17;;/h1-6,12,18,23H,7-11H2;2*1H/t18-;;/m0../s1
InChIKeyPLQWYDOGVUSCTB-NTEVMMBTSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171167242
1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172658
1-[(R)-cyclohexyl(9H-fluoren-2-yl)methyl]piperazine;dihydrochloride
CID 171295175
(3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306357
1-[(1R)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171180299
1-[(1S)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287544
1-[(1S)-2-cyclopropyl-1-(9H-fluoren-2-yl)ethyl]piperazine
CID 171282564
1-[(1S)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285937
1-[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine
CID 171176906
4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzene-1,2-diol
CID 171178281
1-[(1R)-1-(9H-fluoren-2-yl)hexyl]piperazine
CID 171308299
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171274947

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride (CID 171295162) is 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)[C@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
The InChIKey is PLQWYDOGVUSCTB-NTEVMMBTSA-N. The full InChI is InChI=1S/C19H19F3N2.2ClH/c20-19(21,22)18(24-9-7-23-8-10-24)14-5-6-17-15(12-14)11-13-3-1-2-4-16(13)17;;/h1-6,12,18,23H,7-11H2;2*1H/t18-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride has a molecular weight of 405.29 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).