[3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol

C13H16F4N2O — CID 62966483

IUPAC[3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CCN(CC(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C13H16F4N2O/c14-11-7-10(8-20)1-2-12(11)19-5-3-18(4-6-19)9-13(15,16)17/h1-2,7,20H,3-6,8-9H2
InChIKeyZUZPVDJPQMHBJP-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.00
Rot. Bonds3

About [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol

[3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol (PubChem CID 62966483) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol
PubChem CID62966483
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name[3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CCN(CC(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C13H16F4N2O/c14-11-7-10(8-20)1-2-12(11)19-5-3-18(4-6-19)9-13(15,16)17/h1-2,7,20H,3-6,8-9H2
InChIKeyZUZPVDJPQMHBJP-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol
CID 43592205
[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
CID 28945751
[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
CID 43133225
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol
CID 79943710
[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
CID 43121061
[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol
CID 166679156
[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626287
5-fluoro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzenecarbothioamide
CID 63673242
4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazine-2,6-dione
CID 66084158
[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
CID 43584730
1-[2-(bromomethyl)-4-chlorophenyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 107083009

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol (CID 62966483) is [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol is OCc1ccc(N2CCN(CC(F)(F)F)CC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol?
The InChIKey is ZUZPVDJPQMHBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c14-11-7-10(8-20)1-2-12(11)19-5-3-18(4-6-19)9-13(15,16)17/h1-2,7,20H,3-6,8-9H2.
What are the key properties of [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol?
[3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol has a molecular weight of 292.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol is sourced from PubChem (CID 62966483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).