quinolin-3-yl 2,2,2-trifluoroacetate

C11H6F3NO2 — CID 70210319

IUPACquinolin-3-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1cnc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)10(16)17-8-5-7-3-1-2-4-9(7)15-6-8/h1-6H
InChIKeyZTUPVSMPBJAXFL-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.70
Rot. Bonds1

About quinolin-3-yl 2,2,2-trifluoroacetate

quinolin-3-yl 2,2,2-trifluoroacetate (PubChem CID 70210319) has the molecular formula C11H6F3NO2 and a molecular weight of 241.17 g/mol. Its IUPAC name is quinolin-3-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namequinolin-3-yl 2,2,2-trifluoroacetate
PubChem CID70210319
Molecular FormulaC11H6F3NO2
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Namequinolin-3-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1cnc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)10(16)17-8-5-7-3-1-2-4-9(7)15-6-8/h1-6H
InChIKeyZTUPVSMPBJAXFL-UHFFFAOYSA-N
XLogP2.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cinnolin-3-yl 2,2,2-trifluoroacetate
CID 156790490
methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate
CID 107386776
3-(3,3,3-trifluoropropoxy)quinoline
CID 102846999
3-methylsulfanyloxyquinoline
CID 174462861
3-quinolin-3-yloxypropanamide
CID 107388241
2-quinolin-3-yloxyethanol
CID 102847036
2-phenyl-2-quinolin-3-yloxyacetic acid
CID 107386759
3-(bromomethoxy)quinoline
CID 54277099
3-(trifluoromethylsulfonyl)quinoline
CID 154703150
2-chloro-3-quinolin-3-yloxypropanoic acid
CID 107387997
3-amino-4-quinolin-3-yloxybenzoic acid
CID 107387663
(5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate
CID 67268737

Frequently Asked Questions

What is the IUPAC name of quinolin-3-yl 2,2,2-trifluoroacetate?
The IUPAC name of quinolin-3-yl 2,2,2-trifluoroacetate (CID 70210319) is quinolin-3-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for quinolin-3-yl 2,2,2-trifluoroacetate?
The canonical SMILES for quinolin-3-yl 2,2,2-trifluoroacetate is O=C(Oc1cnc2ccccc2c1)C(F)(F)F.
What is the InChIKey of quinolin-3-yl 2,2,2-trifluoroacetate?
The InChIKey is ZTUPVSMPBJAXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2/c12-11(13,14)10(16)17-8-5-7-3-1-2-4-9(7)15-6-8/h1-6H.
What are the key properties of quinolin-3-yl 2,2,2-trifluoroacetate?
quinolin-3-yl 2,2,2-trifluoroacetate has a molecular weight of 241.17 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 70210319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).