(5,6-difluoroquinolin-4-yl) acetate

C11H7F2NO2 — CID 150786200

IUPAC(5,6-difluoroquinolin-4-yl) acetate
SMILESCC(=O)Oc1ccnc2ccc(F)c(F)c12
InChIInChI=1S/C11H7F2NO2/c1-6(15)16-9-4-5-14-8-3-2-7(12)11(13)10(8)9/h2-5H,1H3
InChIKeyKCXCGNIVGLITHO-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.44
Rot. Bonds1

About (5,6-difluoroquinolin-4-yl) acetate

(5,6-difluoroquinolin-4-yl) acetate (PubChem CID 150786200) has the molecular formula C11H7F2NO2 and a molecular weight of 223.18 g/mol. Its IUPAC name is (5,6-difluoroquinolin-4-yl) acetate.

Molecular Properties

Compound Name(5,6-difluoroquinolin-4-yl) acetate
PubChem CID150786200
Molecular FormulaC11H7F2NO2
Molecular Weight223.18 g/mol
Exact Mass223.04
IUPAC Name(5,6-difluoroquinolin-4-yl) acetate
SMILESCC(=O)Oc1ccnc2ccc(F)c(F)c12
InChIInChI=1S/C11H7F2NO2/c1-6(15)16-9-4-5-14-8-3-2-7(12)11(13)10(8)9/h2-5H,1H3
InChIKeyKCXCGNIVGLITHO-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3,6-trifluorophenyl) acetate
CID 23297688
(8-acetyloxyquinoxalin-5-yl) acetate
CID 119081746
(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452
(2-acetyl-4-methoxy-3-pyridinyl) acetate
CID 58914368
(3-fluoro-2-pyridinyl) acetate
CID 15091012
(3-chloro-2,6-difluorophenyl) acetate
CID 134561952
(7-chloro-6-fluoroquinolin-4-yl) propanoate
CID 174271656
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
[5-(aminomethyl)-2-fluorophenyl] acetate
CID 174670603
1-(2,3,4-trifluorophenoxy)propan-2-one
CID 83396685
(2-fluoro-4,5-dihydroxyphenyl) acetate
CID 91585286

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoroquinolin-4-yl) acetate?
The IUPAC name of (5,6-difluoroquinolin-4-yl) acetate (CID 150786200) is (5,6-difluoroquinolin-4-yl) acetate.
What is the SMILES notation for (5,6-difluoroquinolin-4-yl) acetate?
The canonical SMILES for (5,6-difluoroquinolin-4-yl) acetate is CC(=O)Oc1ccnc2ccc(F)c(F)c12.
What is the InChIKey of (5,6-difluoroquinolin-4-yl) acetate?
The InChIKey is KCXCGNIVGLITHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2/c1-6(15)16-9-4-5-14-8-3-2-7(12)11(13)10(8)9/h2-5H,1H3.
What are the key properties of (5,6-difluoroquinolin-4-yl) acetate?
(5,6-difluoroquinolin-4-yl) acetate has a molecular weight of 223.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoroquinolin-4-yl) acetate is sourced from PubChem (CID 150786200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).