fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate

C11H12FNO2 — CID 145056467

IUPACfluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESO=C(CN1CCCc2ccccc21)OF
InChIInChI=1S/C11H12FNO2/c12-15-11(14)8-13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6H,3,5,7-8H2
InChIKeyXKMDOHQZTVOETE-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.87
Rot. Bonds2

About fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate

fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate (PubChem CID 145056467) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate.

Molecular Properties

Compound Namefluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
PubChem CID145056467
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namefluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESO=C(CN1CCCc2ccccc21)OF
InChIInChI=1S/C11H12FNO2/c12-15-11(14)8-13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6H,3,5,7-8H2
InChIKeyXKMDOHQZTVOETE-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507115
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745635
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325
(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbut-2-enoic acid
CID 55236328
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051050
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate?
The IUPAC name of fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate (CID 145056467) is fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate.
What is the SMILES notation for fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate?
The canonical SMILES for fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate is O=C(CN1CCCc2ccccc21)OF.
What is the InChIKey of fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate?
The InChIKey is XKMDOHQZTVOETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-15-11(14)8-13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6H,3,5,7-8H2.
What are the key properties of fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate?
fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate has a molecular weight of 209.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate is sourced from PubChem (CID 145056467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).