1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C12H14FNO2 — CID 80695916

IUPAC1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2CCF
InChIInChI=1S/C12H14FNO2/c13-6-8-14-7-2-4-9-10(12(15)16)3-1-5-11(9)14/h1,3,5H,2,4,6-8H2,(H,15,16)
InChIKeyNAGCVMMMHULEJD-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.11
Rot. Bonds3

About 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 80695916) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID80695916
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2CCF
InChIInChI=1S/C12H14FNO2/c13-6-8-14-7-2-4-9-10(12(15)16)3-1-5-11(9)14/h1,3,5H,2,4,6-8H2,(H,15,16)
InChIKeyNAGCVMMMHULEJD-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
1-[2-(azetidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839962
1-(2-bromoprop-2-enyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60873220
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
1-[(E)-but-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840478
1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65162308
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839961
1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65496320
1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60838604
1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 154740793
1-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 154799391

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 80695916) is 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2CCF.
What is the InChIKey of 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is NAGCVMMMHULEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-6-8-14-7-2-4-9-10(12(15)16)3-1-5-11(9)14/h1,3,5H,2,4,6-8H2,(H,15,16).
What are the key properties of 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 80695916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).