4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline

C15H11F6NO2 — CID 123853924

IUPAC4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline
SMILESCC1OCC(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)O1
InChIInChI=1S/C15H11F6NO2/c1-7-23-6-11(24-7)9-5-12(15(19,20)21)22-13-8(9)3-2-4-10(13)14(16,17)18/h2-5,7,11H,6H2,1H3
InChIKeyIGCFAXWZSHKSQA-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.71
Rot. Bonds1

About 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline

4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline (PubChem CID 123853924) has the molecular formula C15H11F6NO2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline
PubChem CID123853924
Molecular FormulaC15H11F6NO2
Molecular Weight351.25 g/mol
Exact Mass351.07
IUPAC Name4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline
SMILESCC1OCC(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)O1
InChIInChI=1S/C15H11F6NO2/c1-7-23-6-11(24-7)9-5-12(15(19,20)21)22-13-8(9)3-2-4-10(13)14(16,17)18/h2-5,7,11H,6H2,1H3
InChIKeyIGCFAXWZSHKSQA-UHFFFAOYSA-N
XLogP4.71
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline (CID 123853924) is 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline is CC1OCC(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)O1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline?
The InChIKey is IGCFAXWZSHKSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO2/c1-7-23-6-11(24-7)9-5-12(15(19,20)21)22-13-8(9)3-2-4-10(13)14(16,17)18/h2-5,7,11H,6H2,1H3.
What are the key properties of 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline?
4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline has a molecular weight of 351.25 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 123853924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).