1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol

C15H13F6NO2 — CID 18511418

IUPAC1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol
SMILESCCOCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H13F6NO2/c1-2-24-7-11(23)9-6-12(15(19,20)21)22-13-8(9)4-3-5-10(13)14(16,17)18/h3-6,11,23H,2,7H2,1H3
InChIKeyHAGCRJSBUXFFFS-UHFFFAOYSA-N
MW353.26 g/mol
LogP4.34
Rot. Bonds4

About 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol

1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol (PubChem CID 18511418) has the molecular formula C15H13F6NO2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol.

Molecular Properties

Compound Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol
PubChem CID18511418
Molecular FormulaC15H13F6NO2
Molecular Weight353.26 g/mol
Exact Mass353.09
IUPAC Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol
SMILESCCOCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H13F6NO2/c1-2-24-7-11(23)9-6-12(15(19,20)21)22-13-8(9)4-3-5-10(13)14(16,17)18/h3-6,11,23H,2,7H2,1H3
InChIKeyHAGCRJSBUXFFFS-UHFFFAOYSA-N
XLogP4.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol?
The IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol (CID 18511418) is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol.
What is the SMILES notation for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol?
The canonical SMILES for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol is CCOCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol?
The InChIKey is HAGCRJSBUXFFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6NO2/c1-2-24-7-11(23)9-6-12(15(19,20)21)22-13-8(9)4-3-5-10(13)14(16,17)18/h3-6,11,23H,2,7H2,1H3.
What are the key properties of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol?
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol has a molecular weight of 353.26 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-ethoxyethanol is sourced from PubChem (CID 18511418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).