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

C12H13F2IO2 — CID 73118117

IUPAC[5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol
SMILESOCC1COC(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
InChIKeyLBIQKAGCCORVET-UHFFFAOYSA-N
MW354.13 g/mol
LogP2.62
Rot. Bonds3

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

[5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol (PubChem CID 73118117) has the molecular formula C12H13F2IO2 and a molecular weight of 354.13 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol
PubChem CID73118117
Molecular FormulaC12H13F2IO2
Molecular Weight354.13 g/mol
Exact Mass353.99
IUPAC Name[5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol
SMILESOCC1COC(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
InChIKeyLBIQKAGCCORVET-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol?
The IUPAC name of [5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol (CID 73118117) is [5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol?
The canonical SMILES for [5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol is OCC1COC(CI)(c2ccc(F)cc2F)C1.
What is the InChIKey of [5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol?
The InChIKey is LBIQKAGCCORVET-UHFFFAOYSA-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.
What are the key properties of [5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol?
[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 [5-(2,4-difluorophenyl)-5-(iodomethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 73118117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).