(3R)-3-fluoro-2-iodo-5-methyloxolane

C5H8FIO — CID 144965505

IUPAC(3R)-3-fluoro-2-iodo-5-methyloxolane
SMILESCC1C[C@@H](F)C(I)O1
InChIInChI=1S/C5H8FIO/c1-3-2-4(6)5(7)8-3/h3-5H,2H2,1H3/t3?,4-,5?/m1/s1
InChIKeyAVLXCMMVBNKDKG-ACHVEOLNSA-N
MW230.02 g/mol
LogP1.89
Rot. Bonds

About (3R)-3-fluoro-2-iodo-5-methyloxolane

(3R)-3-fluoro-2-iodo-5-methyloxolane (PubChem CID 144965505) has the molecular formula C5H8FIO and a molecular weight of 230.02 g/mol. Its IUPAC name is (3R)-3-fluoro-2-iodo-5-methyloxolane.

Molecular Properties

Compound Name(3R)-3-fluoro-2-iodo-5-methyloxolane
PubChem CID144965505
Molecular FormulaC5H8FIO
Molecular Weight230.02 g/mol
Exact Mass229.96
IUPAC Name(3R)-3-fluoro-2-iodo-5-methyloxolane
SMILESCC1C[C@@H](F)C(I)O1
InChIInChI=1S/C5H8FIO/c1-3-2-4(6)5(7)8-3/h3-5H,2H2,1H3/t3?,4-,5?/m1/s1
InChIKeyAVLXCMMVBNKDKG-ACHVEOLNSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 51.89
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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Related Compounds

2-(Iodomethyl)oxolane
CID 364860
2-(Iodomethyl)-5-methyloxolane
CID 558946
(2S)-2-(iodomethyl)oxolane
CID 36689200
(2R)-2-(iodomethyl)oxolane
CID 40548299
2-(Iodomethyl)-5-(trifluoromethyl)oxolane
CID 132327793
2-Fluoromethyltetrahydrofuran
CID 54073626
Fluoro-2-methyloxolane
CID 89220595
4,4-Difluoro-2-(iodomethyl)oxolane
CID 132351190
3-Fluoro-2-(iodomethyl)oxolane
CID 145913666
trans-(1S,2S)-1-ethoxy-2-iodocyclopentane
CID 11118152
Odsiuxkhmarshw-uhnvwzdzsa-
CID 10515586
Odsiuxkhmarshw-whfbiakzsa-
CID 10706569

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-2-iodo-5-methyloxolane?
The IUPAC name of (3R)-3-fluoro-2-iodo-5-methyloxolane (CID 144965505) is (3R)-3-fluoro-2-iodo-5-methyloxolane.
What is the SMILES notation for (3R)-3-fluoro-2-iodo-5-methyloxolane?
The canonical SMILES for (3R)-3-fluoro-2-iodo-5-methyloxolane is CC1C[C@@H](F)C(I)O1.
What is the InChIKey of (3R)-3-fluoro-2-iodo-5-methyloxolane?
The InChIKey is AVLXCMMVBNKDKG-ACHVEOLNSA-N. The full InChI is InChI=1S/C5H8FIO/c1-3-2-4(6)5(7)8-3/h3-5H,2H2,1H3/t3?,4-,5?/m1/s1.
What are the key properties of (3R)-3-fluoro-2-iodo-5-methyloxolane?
(3R)-3-fluoro-2-iodo-5-methyloxolane has a molecular weight of 230.02 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-2-iodo-5-methyloxolane is sourced from PubChem (CID 144965505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).