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

C7H11FO3 — CID 84764462

IUPAC2-(3-fluorooxan-4-yl)acetic acid
SMILESO=C(O)CC1CCOCC1F
InChIInChI=1S/C7H11FO3/c8-6-4-11-2-1-5(6)3-7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyHXFWXMMKFGNIKS-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.84
Rot. Bonds2

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

2-(3-fluorooxan-4-yl)acetic acid (PubChem CID 84764462) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-(3-fluorooxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluorooxan-4-yl)acetic acid
PubChem CID84764462
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-(3-fluorooxan-4-yl)acetic acid
SMILESO=C(O)CC1CCOCC1F
InChIInChI=1S/C7H11FO3/c8-6-4-11-2-1-5(6)3-7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyHXFWXMMKFGNIKS-UHFFFAOYSA-N
XLogP0.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorooxan-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluorooxan-4-yl)methanamine
CID 84648187
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891
2-(3-fluorooxan-4-yl)oxyacetic acid
CID 153364435
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 84766894
2-(1,4-dioxan-2-yl)acetic acid
CID 18469226
2-[1-(oxolan-3-yl)pyrrolidin-2-yl]acetic acid
CID 63563210
(3R)-oxolane-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 159784262
2-[carboxymethyl(oxolan-3-yl)amino]acetic acid
CID 63644632
(3R,4S)-4-fluorooxan-3-amine
CID 86337690
fluoro 2-(oxolan-3-yl)acetate
CID 176972898
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorooxan-4-yl)acetic acid?
The IUPAC name of 2-(3-fluorooxan-4-yl)acetic acid (CID 84764462) is 2-(3-fluorooxan-4-yl)acetic acid.
What is the SMILES notation for 2-(3-fluorooxan-4-yl)acetic acid?
The canonical SMILES for 2-(3-fluorooxan-4-yl)acetic acid is O=C(O)CC1CCOCC1F.
What is the InChIKey of 2-(3-fluorooxan-4-yl)acetic acid?
The InChIKey is HXFWXMMKFGNIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c8-6-4-11-2-1-5(6)3-7(9)10/h5-6H,1-4H2,(H,9,10).
What are the key properties of 2-(3-fluorooxan-4-yl)acetic acid?
2-(3-fluorooxan-4-yl)acetic acid has a molecular weight of 162.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorooxan-4-yl)acetic acid is sourced from PubChem (CID 84764462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).