(3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol

C6H10FIO2 — CID 58758246

IUPAC(3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol
SMILESC[C@@H]1OC(CF)[C@@H](O)[C@H]1I
InChIInChI=1S/C6H10FIO2/c1-3-5(8)6(9)4(2-7)10-3/h3-6,9H,2H2,1H3/t3-,4?,5-,6+/m0/s1
InChIKeyGTKFJVJTIQVENH-OBOOZECYSA-N
MW260.05 g/mol
LogP0.91
Rot. Bonds1

About (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol

(3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol (PubChem CID 58758246) has the molecular formula C6H10FIO2 and a molecular weight of 260.05 g/mol. Its IUPAC name is (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol
PubChem CID58758246
Molecular FormulaC6H10FIO2
Molecular Weight260.05 g/mol
Exact Mass259.97
IUPAC Name(3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol
SMILESC[C@@H]1OC(CF)[C@@H](O)[C@H]1I
InChIInChI=1S/C6H10FIO2/c1-3-5(8)6(9)4(2-7)10-3/h3-6,9H,2H2,1H3/t3-,4?,5-,6+/m0/s1
InChIKeyGTKFJVJTIQVENH-OBOOZECYSA-N
XLogP0.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol?
The IUPAC name of (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol (CID 58758246) is (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol.
What is the SMILES notation for (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol?
The canonical SMILES for (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol is C[C@@H]1OC(CF)[C@@H](O)[C@H]1I.
What is the InChIKey of (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol?
The InChIKey is GTKFJVJTIQVENH-OBOOZECYSA-N. The full InChI is InChI=1S/C6H10FIO2/c1-3-5(8)6(9)4(2-7)10-3/h3-6,9H,2H2,1H3/t3-,4?,5-,6+/m0/s1.
What are the key properties of (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol?
(3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol has a molecular weight of 260.05 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-2-(fluoromethyl)-4-iodo-5-methyloxolan-3-ol is sourced from PubChem (CID 58758246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).