2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid

C10H11FN2O3 — CID 174810540

IUPAC2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
SMILESO=C(O)N1c2ccccc2NCC1OCF
InChIInChI=1S/C10H11FN2O3/c11-6-16-9-5-12-7-3-1-2-4-8(7)13(9)10(14)15/h1-4,9,12H,5-6H2,(H,14,15)
InChIKeyYLYRYJNJZKQQRB-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.87
Rot. Bonds2

About 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid

2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid (PubChem CID 174810540) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid.

Molecular Properties

Compound Name2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
PubChem CID174810540
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
SMILESO=C(O)N1c2ccccc2NCC1OCF
InChIInChI=1S/C10H11FN2O3/c11-6-16-9-5-12-7-3-1-2-4-8(7)13(9)10(14)15/h1-4,9,12H,5-6H2,(H,14,15)
InChIKeyYLYRYJNJZKQQRB-UHFFFAOYSA-N
XLogP1.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 175563669
2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 142774277
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 23057926
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide
CID 170439364
2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen
CID 145328642
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 75481796
3-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]pentan-3-ol
CID 114496646
tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019688
[(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium
CID 162469017
2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylsulfonyl)acetic acid
CID 115311301

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
The IUPAC name of 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid (CID 174810540) is 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid.
What is the SMILES notation for 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
The canonical SMILES for 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid is O=C(O)N1c2ccccc2NCC1OCF.
What is the InChIKey of 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
The InChIKey is YLYRYJNJZKQQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-6-16-9-5-12-7-3-1-2-4-8(7)13(9)10(14)15/h1-4,9,12H,5-6H2,(H,14,15).
What are the key properties of 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid has a molecular weight of 226.21 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid is sourced from PubChem (CID 174810540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).