2-fluoro-3-(oxolan-3-yl)propanoic acid

C7H11FO3 — CID 81358381

IUPAC2-fluoro-3-(oxolan-3-yl)propanoic acid
SMILESO=C(O)C(F)CC1CCOC1
InChIInChI=1S/C7H11FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h5-6H,1-4H2,(H,9,10)
InChIKeyPHTIHFOCXSERAJ-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.84
Rot. Bonds3

About 2-fluoro-3-(oxolan-3-yl)propanoic acid

2-fluoro-3-(oxolan-3-yl)propanoic acid (PubChem CID 81358381) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-fluoro-3-(oxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(oxolan-3-yl)propanoic acid
PubChem CID81358381
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-fluoro-3-(oxolan-3-yl)propanoic acid
SMILESO=C(O)C(F)CC1CCOC1
InChIInChI=1S/C7H11FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h5-6H,1-4H2,(H,9,10)
InChIKeyPHTIHFOCXSERAJ-UHFFFAOYSA-N
XLogP0.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

3-Furanpropanoic acid, tetrahydro-2-oxo-
CID 120842
3-(Oxolan-3-yl)propanoic acid
CID 284090
2-Methyl-3-(oxolan-3-yl)propanoic acid
CID 79418831
2-Fluoro-2-(oxolan-3-yl)acetic acid
CID 81358717
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61491508
4,4,4-Trifluoro-3-(oxolan-3-yl)butanoic acid
CID 63154797
2-Fluoro-2-(oxepan-4-yl)acetic acid
CID 81358280
2-(3-Fluorotetrahydrofuran-3-yl)acetic acid
CID 83815288
2-(4-Fluorooxolan-3-yl)acetic acid
CID 84763053
5-Fluorooxepane-4-carboxylic acid
CID 84764461
2-Fluoro-3-[4-(iodomethyl)oxolan-3-yl]propanoic acid
CID 101989494
3-(4-Fluorooxolan-3-yl)propanoic acid
CID 105431815

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(oxolan-3-yl)propanoic acid?
The IUPAC name of 2-fluoro-3-(oxolan-3-yl)propanoic acid (CID 81358381) is 2-fluoro-3-(oxolan-3-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-(oxolan-3-yl)propanoic acid?
The canonical SMILES for 2-fluoro-3-(oxolan-3-yl)propanoic acid is O=C(O)C(F)CC1CCOC1.
What is the InChIKey of 2-fluoro-3-(oxolan-3-yl)propanoic acid?
The InChIKey is PHTIHFOCXSERAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h5-6H,1-4H2,(H,9,10).
What are the key properties of 2-fluoro-3-(oxolan-3-yl)propanoic acid?
2-fluoro-3-(oxolan-3-yl)propanoic acid has a molecular weight of 162.16 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(oxolan-3-yl)propanoic acid is sourced from PubChem (CID 81358381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).