(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

C13H16F4N2O — CID 28775333

IUPAC(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCN(c2ccccc2F)CC1)C(F)(F)F
InChIInChI=1S/C13H16F4N2O/c14-10-3-1-2-4-11(10)19-7-5-18(6-8-19)9-12(20)13(15,16)17/h1-4,12,20H,5-9H2/t12-/m1/s1
InChIKeyLJQZWCCEVGDMDR-GFCCVEGCSA-N
MW292.28 g/mol
LogP1.87
Rot. Bonds3

About (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 28775333) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID28775333
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCN(c2ccccc2F)CC1)C(F)(F)F
InChIInChI=1S/C13H16F4N2O/c14-10-3-1-2-4-11(10)19-7-5-18(6-8-19)9-12(20)13(15,16)17/h1-4,12,20H,5-9H2/t12-/m1/s1
InChIKeyLJQZWCCEVGDMDR-GFCCVEGCSA-N
XLogP1.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476125
(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 3844372
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 6975605
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770611
1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 53180184

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 28775333) is (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is O[C@H](CN1CCN(c2ccccc2F)CC1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is LJQZWCCEVGDMDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16F4N2O/c14-10-3-1-2-4-11(10)19-7-5-18(6-8-19)9-12(20)13(15,16)17/h1-4,12,20H,5-9H2/t12-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 292.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 28775333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).