5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol

C14H19F3N2O2 — CID 107708092

IUPAC5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-10(11-6-12(20)8-13(21)7-11)19-4-2-18(3-5-19)9-14(15,16)17/h6-8,10,20-21H,2-5,9H2,1H3
InChIKeyHCSLAZMHOCUXIT-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.34
Rot. Bonds3

About 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol

5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol (PubChem CID 107708092) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol
PubChem CID107708092
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-10(11-6-12(20)8-13(21)7-11)19-4-2-18(3-5-19)9-14(15,16)17/h6-8,10,20-21H,2-5,9H2,1H3
InChIKeyHCSLAZMHOCUXIT-UHFFFAOYSA-N
XLogP2.34
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol (CID 107708092) is 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol is CC(c1cc(O)cc(O)c1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol?
The InChIKey is HCSLAZMHOCUXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(11-6-12(20)8-13(21)7-11)19-4-2-18(3-5-19)9-14(15,16)17/h6-8,10,20-21H,2-5,9H2,1H3.
What are the key properties of 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol?
5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol has a molecular weight of 304.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107708092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).