2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol

C16H17F4N3O — CID 2823560

IUPAC2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(C(F)(F)F)nc3c(F)cccc23)CC1
InChIInChI=1S/C16H17F4N3O/c17-12-3-1-2-11-13(10-14(16(18,19)20)21-15(11)12)23-6-4-22(5-7-23)8-9-24/h1-3,10,24H,4-9H2
InChIKeyYFMUWKOEAAMXST-UHFFFAOYSA-N
MW343.32 g/mol
LogP2.51
Rot. Bonds3

About 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol

2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol (PubChem CID 2823560) has the molecular formula C16H17F4N3O and a molecular weight of 343.32 g/mol. Its IUPAC name is 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol
PubChem CID2823560
Molecular FormulaC16H17F4N3O
Molecular Weight343.32 g/mol
Exact Mass343.13
IUPAC Name2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(C(F)(F)F)nc3c(F)cccc23)CC1
InChIInChI=1S/C16H17F4N3O/c17-12-3-1-2-11-13(10-14(16(18,19)20)21-15(11)12)23-6-4-22(5-7-23)8-9-24/h1-3,10,24H,4-9H2
InChIKeyYFMUWKOEAAMXST-UHFFFAOYSA-N
XLogP2.51
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol (CID 2823560) is 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2cc(C(F)(F)F)nc3c(F)cccc23)CC1.
What is the InChIKey of 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is YFMUWKOEAAMXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3O/c17-12-3-1-2-11-13(10-14(16(18,19)20)21-15(11)12)23-6-4-22(5-7-23)8-9-24/h1-3,10,24H,4-9H2.
What are the key properties of 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol?
2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 343.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2823560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).