2-(3-fluorooxan-4-yl)oxyacetic acid

C7H11FO4 — CID 153364435

IUPAC2-(3-fluorooxan-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCOCC1F
InChIInChI=1S/C7H11FO4/c8-5-3-11-2-1-6(5)12-4-7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyNYRLTBIPYBFCHE-UHFFFAOYSA-N
MW178.16 g/mol
LogP0.21
Rot. Bonds3

About 2-(3-fluorooxan-4-yl)oxyacetic acid

2-(3-fluorooxan-4-yl)oxyacetic acid (PubChem CID 153364435) has the molecular formula C7H11FO4 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-(3-fluorooxan-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-fluorooxan-4-yl)oxyacetic acid
PubChem CID153364435
Molecular FormulaC7H11FO4
Molecular Weight178.16 g/mol
Exact Mass178.06
IUPAC Name2-(3-fluorooxan-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCOCC1F
InChIInChI=1S/C7H11FO4/c8-5-3-11-2-1-6(5)12-4-7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyNYRLTBIPYBFCHE-UHFFFAOYSA-N
XLogP0.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorooxan-4-yl)acetic acid
CID 84764462
2-(4-fluorocyclohexyl)oxyacetic acid
CID 84732095
2-[(3R,4S)-3-[(2-chloro-4,5-difluorobenzoyl)amino]oxan-4-yl]oxyacetic acid
CID 91779623
[(3S,4R)-3-fluorooxan-4-yl] methanesulfonate
CID 99771020
2-[(3S,4R)-3-[(2-cyclopropylpyrimidine-5-carbonyl)amino]oxan-4-yl]oxyacetic acid
CID 133266293
2-[(3R,4S)-3-[(3-fluorophenyl)methylcarbamoylamino]oxan-4-yl]oxyacetic acid
CID 91772905
2-[(3S,4R)-3-[[2-(1,3-thiazol-4-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 133268723
2-[(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxan-3-yl]oxyacetic acid
CID 91774935
2-[(3R,4S)-3-(4-phenoxybutanoylamino)oxan-4-yl]oxyacetic acid
CID 91788296
2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid
CID 133268188
2-[(3R,4S)-3-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 91796940
2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 91771663

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorooxan-4-yl)oxyacetic acid?
The IUPAC name of 2-(3-fluorooxan-4-yl)oxyacetic acid (CID 153364435) is 2-(3-fluorooxan-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-fluorooxan-4-yl)oxyacetic acid?
The canonical SMILES for 2-(3-fluorooxan-4-yl)oxyacetic acid is O=C(O)COC1CCOCC1F.
What is the InChIKey of 2-(3-fluorooxan-4-yl)oxyacetic acid?
The InChIKey is NYRLTBIPYBFCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO4/c8-5-3-11-2-1-6(5)12-4-7(9)10/h5-6H,1-4H2,(H,9,10).
What are the key properties of 2-(3-fluorooxan-4-yl)oxyacetic acid?
2-(3-fluorooxan-4-yl)oxyacetic acid has a molecular weight of 178.16 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorooxan-4-yl)oxyacetic acid is sourced from PubChem (CID 153364435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).