(2S,3R)-3-fluoro-2-(iodomethyl)oxolane

C5H8FIO — CID 101459129

IUPAC(2S,3R)-3-fluoro-2-(iodomethyl)oxolane
SMILESF[C@@H]1CCO[C@@H]1CI
InChIInChI=1S/C5H8FIO/c6-4-1-2-8-5(4)3-7/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyRENPANUFEIQEBJ-RFZPGFLSSA-N
MW230.02 g/mol
LogP1.55
Rot. Bonds1

About (2S,3R)-3-fluoro-2-(iodomethyl)oxolane

(2S,3R)-3-fluoro-2-(iodomethyl)oxolane (PubChem CID 101459129) has the molecular formula C5H8FIO and a molecular weight of 230.02 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-2-(iodomethyl)oxolane.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-2-(iodomethyl)oxolane
PubChem CID101459129
Molecular FormulaC5H8FIO
Molecular Weight230.02 g/mol
Exact Mass229.96
IUPAC Name(2S,3R)-3-fluoro-2-(iodomethyl)oxolane
SMILESF[C@@H]1CCO[C@@H]1CI
InChIInChI=1S/C5H8FIO/c6-4-1-2-8-5(4)3-7/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyRENPANUFEIQEBJ-RFZPGFLSSA-N
XLogP1.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-2-(iodomethyl)oxolane?
The IUPAC name of (2S,3R)-3-fluoro-2-(iodomethyl)oxolane (CID 101459129) is (2S,3R)-3-fluoro-2-(iodomethyl)oxolane.
What is the SMILES notation for (2S,3R)-3-fluoro-2-(iodomethyl)oxolane?
The canonical SMILES for (2S,3R)-3-fluoro-2-(iodomethyl)oxolane is F[C@@H]1CCO[C@@H]1CI.
What is the InChIKey of (2S,3R)-3-fluoro-2-(iodomethyl)oxolane?
The InChIKey is RENPANUFEIQEBJ-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H8FIO/c6-4-1-2-8-5(4)3-7/h4-5H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (2S,3R)-3-fluoro-2-(iodomethyl)oxolane?
(2S,3R)-3-fluoro-2-(iodomethyl)oxolane has a molecular weight of 230.02 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-2-(iodomethyl)oxolane is sourced from PubChem (CID 101459129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).