[(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol

C12H13F2IO2 — CID 68832542

IUPAC[(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol
SMILESOCC1CO[C@@](CI)(c2ccc(F)cc2F)C1
InChIInChI=1S/C12H13F2IO2/c13-9-1-2-10(11(14)3-9)12(7-15)4-8(5-16)6-17-12/h1-3,8,16H,4-7H2/t8?,12-/m0/s1
InChIKeyLBIQKAGCCORVET-MYIOLCAUSA-N
MW354.13 g/mol
LogP2.62
Rot. Bonds3

About [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol

[(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol (PubChem CID 68832542) has the molecular formula C12H13F2IO2 and a molecular weight of 354.13 g/mol. Its IUPAC name is [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol
PubChem CID68832542
Molecular FormulaC12H13F2IO2
Molecular Weight354.13 g/mol
Exact Mass353.99
IUPAC Name[(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol
SMILESOCC1CO[C@@](CI)(c2ccc(F)cc2F)C1
InChIInChI=1S/C12H13F2IO2/c13-9-1-2-10(11(14)3-9)12(7-15)4-8(5-16)6-17-12/h1-3,8,16H,4-7H2/t8?,12-/m0/s1
InChIKeyLBIQKAGCCORVET-MYIOLCAUSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.13
LogP ≤ 52.62
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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Related Compounds

2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 42609841
2-(4-Fluorophenyl)-2-methyloxolane
CID 132520503
2-[(2,4-Difluoro-5-iodo-phenyl)methoxy]propane-1,3-diol
CID 485347
1,4-Anhydro-2-deoxy-1-C-(2,4-difluorophenyl)-D-erythro-pentitol, (1R)-
CID 502234
(2R,3S,5R)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)tetrahydrofuran-3-ol
CID 502236
1-(2-deoxy-beta-D-ribofuranosyl)-2,4-difluoro-5-iodobenzene
CID 502241
(2R,3S,5S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502247
(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)tetrahydrofuran-3-ol
CID 502249
(2R,3S,5S)-5-(2,4-Difluoro-5-iodo-phenyl)-2-hydroxymethyl-tetrahydro-furan-3-ol
CID 502254
(2R,3S,5R)-5-(2,4-difluoro-5-vinyl-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 513278
(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodovinyl]phenyl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 6479208
(2S)-2-(2,4-Difluorophenyl)-2-oxiranemethanol
CID 10176425

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol?
The IUPAC name of [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol (CID 68832542) is [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol?
The canonical SMILES for [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol is OCC1CO[C@@](CI)(c2ccc(F)cc2F)C1.
What is the InChIKey of [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol?
The InChIKey is LBIQKAGCCORVET-MYIOLCAUSA-N. The full InChI is InChI=1S/C12H13F2IO2/c13-9-1-2-10(11(14)3-9)12(7-15)4-8(5-16)6-17-12/h1-3,8,16H,4-7H2/t8?,12-/m0/s1.
What are the key properties of [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol?
[(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol has a molecular weight of 354.13 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 68832542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).